1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile

HCID 91805CAS 56326-98-8
Substructure searchFind similar structures

Basic information

Standard SMILES
N#CC1(c2ccc(F)cc2)CCC(=O)CC1
InChIKey
FNWWTNNFZGBMEM-UHFFFAOYSA-N
Molecular formula
C13H12FNO
Average molar mass
217.24 g/mol
Monoisotopic mass
217.09029217

Names & identifiers

Preferred name
1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrile
IUPAC
1-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrile
English name
4-Cyano-4-(4-fluorophenyl)cyclohexanone
Molecular formula
C13H12FNO
Molecular weight
217.24

Names & synonyms

56326-98-84-Cyano-4-(4-fluorophenyl)cyclohexanone1-(4-Fluorophenyl)-4-oxocyclohexanecarbonitrileDTXSID3057777EINECS 260-111-72K2RPS539DCyclohexanecarbonitrile, 1-(4-fluorophenyl)-4-oxo-DTXCID40315664-CYANO-4-(4-FLUOROPHENYL)CYCLOHEXAN-1-ONELEVOCABASTINE HYDROCHLORIDE IMPURITY H [EP IMPURITY]LEVOCABASTINE HYDROCHLORIDE IMPURITY H (EP IMPURITY)RefChem:74487
Show more names
Levocabastine Impurity 13Levocabastine EP Impurity H4-Cyano-4-(4-flurophenyl)cyclohexanone4-Cyano-4-(4-fluorophenyl)cyclohexanone ,98%1-(4-FLUOROPHENYL)-4-OXOCYCLOHEXANE-CARBONITRILE
260-111-71-(4-fluorophenyl)-4-oxocyclohexane-1-carbonitrileMFCD00044815UNII-2K2RPS539D_x000D_4-Cyano-4-(4-fluorophenyl)cyclohexanoneSCHEMBL1559063CHEMBL3561226Levocabastine HCl EP Impurity H

Database identifiers

CAS
56326-98-8
PubChem CID
91805
DTXSID
DTXSID3057777
ChEMBL
CHEMBL3561226
UNII
2K2RPS539D
EC Number
260-111-7
Nikkaji
J296.638G

Properties

Computed structural properties

XLogP
1.7
Topological polar surface area
40.9 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
16

Physicochemical properties

Melting point
91 · 91-94°C
Boiling point
373.6 · 373.6±42.0 °C(Predicted)
Density
1.19 · 1.19±0.1 g/cm3(Predicted)
storage temp.
Sealed in dry,Room Temperature
form
solid
Appearance
White to off-white Solid

Safety & regulation

Safety data

wgk
WGK 3
ridadr
UN3439
hs_code
2926907090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_class
6.1

Chemistry & industry

Applications

Uses4-Cyano-4-(4-fluorophenyl)cyclohexanone is used as a reagent in the synthesis of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors.

Uses4-Cyano-4-(4-fluorophenyl)cyclohexanone is used as a reagent in the synthesis of novel 4,4-disubstituted cyclohexylbenzamide derivatives as potent 11β-HSD1 inhibitors.

Upstream & downstream products

Suppliers50 total

绍兴赜军生物医药科技有限公司0575-82126188 15395856318
Career Henan Chemica Co+86-0371-86658258 +86-13203830695 · [email protected]
郑州汇聚化工有限公司13393710386 · [email protected]
爱斯特（成都）生物制药股份有限公司+86-28-85122536 85324413 · [email protected]
江西凯信生物医药有限公司0797-2111676 18890136722

Related reactions

18 records
New reaction record

Linked notes

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