1-Isopropyl-4-(trifluoromethyl)benzene

HCID 599680
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Basic information

CAS
32445-99-1
Standard SMILES
CC(C)c1ccc(C(F)(F)F)cc1
InChIKey
RPQZZDWFWOIRAN-UHFFFAOYSA-N
Molecular formula
C10H11F3
Average molar mass
188.19 g/mol
Monoisotopic mass
188.08128501

Names & identifiers

Preferred name
1-Isopropyl-4-(trifluoromethyl)benzene
IUPAC
1-propan-2-yl-4-(trifluoromethyl)benzene
English name
4-Isopropylbenzotrifluoride
Molecular formula
C10H11F3
Molecular weight
188.19

Names & synonyms

1-Isopropyl-4-(trifluoromethyl)benzene32445-99-1DTXSID30344808RefChem:231176DTXCID502958834-Isopropylbenzotrifluoride1-propan-2-yl-4-(trifluoromethyl)benzeneMFCD001901071-(propan-2-yl)-4-(trifluoromethyl)benzeneSCHEMBL84043SCHEMBL4964395SCHEMBL16958492
Show more names
SCHEMBL18242237XOOAHFLSBGNQCU-UHFFFAOYSA-NYOWTVAXJKSPKED-UHFFFAOYSA-NAKOS0052579634-Isopropyl-1-(trifluoromethyl)benzene1-Isopropyl-4-(trifluoromethyl)benzene #DB-263144Benzene, 1-(1-methylethyl)-4-(trifluoromethyl)-

Database identifiers

CAS
32445-99-1
PubChem CID
599680
DTXSID
DTXSID30344808
Nikkaji
J2.091.169G

Properties

Computed structural properties

XLogP
4.6
Topological polar surface area
0 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
1
Heavy atoms
13

Physicochemical properties

Boiling point
171.7 · 171.7±35.0 °C(Predicted)
Density
1.087 · 1.087±0.06 g/cm3(Predicted)

Chemistry & industry

Suppliers1 total

珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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