(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

C15H9ClF4O — CID 107291351

IUPAC(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H9ClF4O/c1-8-3-2-4-10(13(8)16)14(21)9-5-6-12(17)11(7-9)15(18,19)20/h2-7H,1H3
InChIKeyYXZJBAMAQWPKDC-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.04
Rot. Bonds2

About (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone

(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (PubChem CID 107291351) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
PubChem CID107291351
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
SMILESCc1cccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)c1Cl
InChIInChI=1S/C15H9ClF4O/c1-8-3-2-4-10(13(8)16)14(21)9-5-6-12(17)11(7-9)15(18,19)20/h2-7H,1H3
InChIKeyYXZJBAMAQWPKDC-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500316.68
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,3-dichlorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 114970427
(2-fluoro-3-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107288416
(4-bromo-2-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288351
(3-bromo-2-chlorophenyl)-(4-fluoro-3-methylphenyl)methanone
CID 113402904
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(3-bromo-4-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291350
[2-chloro-3-(trifluoromethyl)phenyl]-(3-fluoro-5-methylphenyl)methanone
CID 174965122
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
[4-fluoro-3-(trifluoromethyl)phenyl]-(4-methylsulfanylphenyl)methanone
CID 107288415
(3-chlorophenyl)-(2-fluoro-3-methylphenyl)methanone
CID 114964168
(4-bromo-2-fluorophenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107288345
(5-bromo-4-methylthiophen-2-yl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 79997568

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone (CID 107291351) is (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is Cc1cccc(C(=O)c2ccc(F)c(C(F)(F)F)c2)c1Cl.
What is the InChIKey of (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
The InChIKey is YXZJBAMAQWPKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-8-3-2-4-10(13(8)16)14(21)9-5-6-12(17)11(7-9)15(18,19)20/h2-7H,1H3.
What are the key properties of (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone?
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone has a molecular weight of 316.68 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107291351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).