2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene

C16H14ClF3 — CID 167218956

IUPAC2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C16H14ClF3/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(17)9-13)16(18,19)20/h3-10H,1-2H3
InChIKeyLOJIRTUXSLIQBA-UHFFFAOYSA-N
MW298.74 g/mol
LogP6.15
Rot. Bonds2

About 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene

2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene (PubChem CID 167218956) has the molecular formula C16H14ClF3 and a molecular weight of 298.74 g/mol. Its IUPAC name is 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
PubChem CID167218956
Molecular FormulaC16H14ClF3
Molecular Weight298.74 g/mol
Exact Mass298.07
IUPAC Name2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
SMILESCC(C)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1
InChIInChI=1S/C16H14ClF3/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(17)9-13)16(18,19)20/h3-10H,1-2H3
InChIKeyLOJIRTUXSLIQBA-UHFFFAOYSA-N
XLogP6.15
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.74
LogP ≤ 56.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

2-propan-2-yl-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene
CID 155328294
1-chloro-2-methyl-4-propan-2-ylbenzene;2-chloro-4-propan-2-yl-1-(trifluoromethyl)benzene
CID 164997099
1-phenyl-4-(3-propan-2-ylphenyl)benzene;1-phenyl-4-(4-propan-2-ylphenyl)benzene
CID 160951739
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine
CID 66512002
(1R)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2-methylpropan-1-amine
CID 131415614
(1S)-1-[3-chloro-4-(trifluoromethyl)phenyl]-2,2,2-trifluoroethanamine;hydrochloride
CID 171251448
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
1-chloro-3-[2-(2-chloro-4-propan-2-ylphenyl)propan-2-yl]-2-fluorobenzene
CID 138625473
[3-chloro-4-(trifluoromethyl)phenyl]-phenylmethanamine;hydrochloride
CID 138986692
1,3-di(propan-2-yl)benzene;1,4-di(propan-2-yl)benzene;ethane
CID 158231247
2-(3-propan-2-ylphenyl)anthracene
CID 175212128
1-methoxy-4-(3-propan-2-ylphenyl)benzene
CID 20871880

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The IUPAC name of 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene (CID 167218956) is 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene.
What is the SMILES notation for 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The canonical SMILES for 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene is CC(C)c1cccc(-c2ccc(C(F)(F)F)c(Cl)c2)c1.
What is the InChIKey of 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
The InChIKey is LOJIRTUXSLIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClF3/c1-10(2)11-4-3-5-12(8-11)13-6-7-14(15(17)9-13)16(18,19)20/h3-10H,1-2H3.
What are the key properties of 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene?
2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene has a molecular weight of 298.74 g/mol, XLogP of 6.15, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-(3-propan-2-ylphenyl)-1-(trifluoromethyl)benzene is sourced from PubChem (CID 167218956), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).