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

C14H10ClF3 — CID 134629680

IUPAC4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(Cl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14(16,17)18/h2-8H,1H3
InChIKeyHRKWHKUISZMUEC-UHFFFAOYSA-N
MW270.68 g/mol
LogP5.33
Rot. Bonds1

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

4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene (PubChem CID 134629680) has the molecular formula C14H10ClF3 and a molecular weight of 270.68 g/mol. Its IUPAC name is 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
PubChem CID134629680
Molecular FormulaC14H10ClF3
Molecular Weight270.68 g/mol
Exact Mass270.04
IUPAC Name4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene
SMILESCc1ccc(Cl)cc1-c1ccccc1C(F)(F)F
InChIInChI=1S/C14H10ClF3/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14(16,17)18/h2-8H,1H3
InChIKeyHRKWHKUISZMUEC-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

4-chloro-2-methyl-1-[2-(trifluoromethyl)phenyl]benzene
CID 118834049
4-chloro-2-[2-(trifluoromethyl)phenyl]benzenethiol
CID 151006940
1,2-difluoro-4-methyl-5-[2-(trifluoromethyl)phenyl]benzene
CID 158879468
[4-chloro-2-[2-(trifluoromethyl)phenyl]phenyl]methanol
CID 134629558
1-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]benzene
CID 3013906
4-chloro-2-(chloromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 118816855
1-chloro-4-methyl-2-[2-(trifluoromethyl)phenyl]benzene
CID 119000204
2-fluoro-1-methyl-4-[2-(trifluoromethyl)phenyl]benzene
CID 123409269
4-chloro-1-(2-chlorophenyl)-2-(trifluoromethyl)benzene
CID 70978710
4-chloro-2-methyl-1-(trifluoromethyl)benzene
CID 12712338
1-[2-methyl-5-(2-methylphenyl)phenyl]-2,5-bis(2-methylphenyl)-4-[2-(trifluoromethyl)-5-[2-(trifluoromethyl)phenyl]phenyl]benzene
CID 59609359
2-(5-chloro-2-methylphenyl)-4-fluoro-1-methylbenzene
CID 129059245

Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene (CID 134629680) is 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene is Cc1ccc(Cl)cc1-c1ccccc1C(F)(F)F.
What is the InChIKey of 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
The InChIKey is HRKWHKUISZMUEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3/c1-9-6-7-10(15)8-12(9)11-4-2-3-5-13(11)14(16,17)18/h2-8H,1H3.
What are the key properties of 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene?
4-chloro-1-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 4-chloro-1-methyl-2-[2-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 134629680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).