4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene

C13H7ClF4 — CID 45156540

IUPAC4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF4/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyCMJPUVIFHYBVJB-UHFFFAOYSA-N
MW274.64 g/mol
LogP5.16
Rot. Bonds1

About 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene

4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene (PubChem CID 45156540) has the molecular formula C13H7ClF4 and a molecular weight of 274.64 g/mol. Its IUPAC name is 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
PubChem CID45156540
Molecular FormulaC13H7ClF4
Molecular Weight274.64 g/mol
Exact Mass274.02
IUPAC Name4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene
SMILESFc1ccc(-c2cccc(Cl)c2)cc1C(F)(F)F
InChIInChI=1S/C13H7ClF4/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H
InChIKeyCMJPUVIFHYBVJB-UHFFFAOYSA-N
XLogP5.16
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500274.64
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-bromo-4-(3-chlorophenyl)-2-(trifluoromethyl)benzene
CID 125492769
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]phenol
CID 53221517
2-chloro-4-(3-chlorophenyl)-6-(trifluoromethyl)aniline
CID 171916753
1,3-dichloro-5-[3-fluoro-4-(trifluoromethyl)phenyl]benzene
CID 134623705
4-(4-bromophenyl)-1-fluoro-2-(trifluoromethyl)benzene
CID 125457222
2-fluoro-4-[4-fluoro-3-(trifluoromethyl)phenyl]aniline
CID 107289637
ethane;1-fluoro-4-(4-propan-2-ylphenyl)-2-(trifluoromethyl)benzene
CID 169205433
2-chloro-4-[4-fluoro-3-(trifluoromethyl)phenyl]benzaldehyde
CID 107289689
1-[3-[4-fluoro-3-(trifluoromethyl)phenyl]phenyl]propan-1-amine
CID 107289774
4-chloro-2-[4-fluoro-3-(trifluoromethyl)phenyl]benzoic acid
CID 53228331
1-fluoro-4-[4-isocyano-3-(trifluoromethyl)phenyl]-2-(trifluoromethyl)benzene
CID 20824744
[(3-chlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methyl]hydrazine
CID 105289210

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The IUPAC name of 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene (CID 45156540) is 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The canonical SMILES for 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene is Fc1ccc(-c2cccc(Cl)c2)cc1C(F)(F)F.
What is the InChIKey of 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
The InChIKey is CMJPUVIFHYBVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClF4/c14-10-3-1-2-8(6-10)9-4-5-12(15)11(7-9)13(16,17)18/h1-7H.
What are the key properties of 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene?
4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene has a molecular weight of 274.64 g/mol, XLogP of 5.16, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorophenyl)-1-fluoro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 45156540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).