1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene

C14H10ClF3 — CID 119000204

IUPAC1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14(16,17)18/h2-8H,1H3
InChIKeyANPNSUAVNQVMCC-UHFFFAOYSA-N
MW270.68 g/mol
LogP5.33
Rot. Bonds1

About 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene

1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 119000204) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
PubChem CID119000204
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1
InChIInChI=1S/C14H10ClF3/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14(16,17)18/h2-8H,1H3
InChIKeyANPNSUAVNQVMCC-UHFFFAOYSA-N
XLogP5.33
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500270.68
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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4-chloro-3-[2-(trifluoromethyl)phenyl]benzoyl chloride
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1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-methyl-2-phenyl-1-(trifluoromethyl)benzene
CID 46315075
4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 134629680
4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
2-chloro-5-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]aniline
CID 107630492
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
4-chloro-2,3-dimethyl-6-[2-(trifluoromethyl)phenyl]pyridine
CID 123435575
2-bromo-1-chloro-3,4-bis[2-(trifluoromethyl)phenyl]benzene
CID 54558536
9-[4-(2,7-dimethylcarbazol-9-yl)-2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]-2,7-dimethylcarbazole
CID 159679728

Frequently Asked Questions

What is the IUPAC name of 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene (CID 119000204) is 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene is Cc1ccc(Cl)c(-c2ccccc2C(F)(F)F)c1.
What is the InChIKey of 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is ANPNSUAVNQVMCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-9-6-7-13(15)11(8-9)10-4-2-3-5-12(10)14(16,17)18/h2-8H,1H3.
What are the key properties of 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene has a molecular weight of 270.68 g/mol, XLogP of 5.33, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 119000204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).