2,2-Dimethyl-n-[3-(trifluoromethyl)phenyl]propanamide

HCID 714339
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Substructure searchFind similar structures

Basic information

CAS
1939-19-1
Standard SMILES
CC(C)(C)C(=O)Nc1cccc(C(F)(F)F)c1
InChIKey
AGOPRFPFSYTJNX-UHFFFAOYSA-N
Molecular formula
C12H14F3NO
Average molar mass
245.24 g/mol
Monoisotopic mass
245.10274873

Overview

See also: 2,2-Dimethyl-3'-(trifluoromethyl)propionanilide (annotation moved to).

Names & identifiers

Preferred name
2,2-Dimethyl-n-[3-(trifluoromethyl)phenyl]propanamide
IUPAC
2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]propanamide
English name
N-(2,2-Dimethylpropanoyl)-3-(trifluoromethyl)aniline
Molecular formula
C12H14F3NO
Molecular weight
245.24

Names & synonyms

1939-19-12,2-dimethyl-n-[3-(trifluoromethyl)phenyl]propanamideN-(3-(trifluoromethyl)phenyl)pivalamideN-(2,2-Dimethylpropanoyl)-3-(trifluoromethyl)aniline3-(Trifluoromethyl)pivalanilideMFCD000959012,2-Dimethyl-N-[3-(trifluoromethyl)phenyl]-propanamide3'-(Trifluoromethyl)pivalanilidePropanamide,2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-Maybridge1_007803SCHEMBL2902567SCHEMBL4455493
Show more names
2,2-DIMETHYL-3'-(TRIFLUOROMETHYL)PROPIONANILIDE2,2-DIMETHYL-3'-(TRIFLUOROMETHYL)PROPIONANILIDE4,4,4-Trifluoro-2,2-dimethyl-N-phenylbutanamidePropanamide, 2,2-dimethyl-N-[3-(trifluoromethyl)phenyl]-
SCHEMBL5548637SCHEMBL30977683HMS563K15DTXSID103519343-trifluoromethyl-n-pivaloylanilineSBB099987AKOS003865674AC-14428

Database identifiers

CAS
1939-19-1
PubChem CID
714339
DTXSID
DTXSID10351934
Nikkaji
J3.551.765K

Properties

Computed structural properties

XLogP
4
Topological polar surface area
29.1 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
2
Heavy atoms
17

Physicochemical properties

Melting point
107 °C · 107 °C
Boiling point
322.1 · 322.1±42.0 °C(Predicted)
Density
1.192 · 1.192±0.06 g/cm3(Predicted)
solubility
Dichloromethane, Ethyl Acetate
form
Solid
pka
14.58 · 14.58±0.70(Predicted)

Safety & regulation

Safety data

hs_code
2921420090
Signal word
Warning
Symbol(GHS)
GHS07
hazard_code
Xi
hazard_note
Irritant
Hazard statements
H302

Chemistry & industry

Applications

UsesIntermediate for the preparation of Flunixin and other derivatives of this analgesic.

Upstream & downstream products

Suppliers13 total

安徽合诺生物科技有限公司18455579438
凯试（上海）科技有限公司021-50135380 · [email protected]
郑州康弗辰医药科技有限公司18210788515; 18210788515 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
Alfa Chemistry+1-5166625404 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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