(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

C15H9ClF4O — CID 102757184

IUPAC(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H9ClF4O/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7H,1H3
InChIKeyRWDYHCGVACXEOL-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.04
Rot. Bonds2

About (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone

(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 102757184) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID102757184
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1Cl
InChIInChI=1S/C15H9ClF4O/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7H,1H3
InChIKeyRWDYHCGVACXEOL-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-amino-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756910
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(2-chloro-3-fluorophenyl)-(5-chloro-2-methylphenyl)methanone
CID 146005923
(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107996851
(2-chloro-3-fluorophenyl)-(5-fluoro-2-methylphenyl)methanone
CID 112694145
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
(2-chloro-3-fluorophenyl)-(4-chloro-3-methylphenyl)methanone
CID 146005889
(2-chloro-3-fluorophenyl)-(4-methoxy-2,5-dimethylphenyl)methanone
CID 115797667
(4-methylthiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752670
(2,5-dibromothiophen-3-yl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 107967866
(2-chloro-3-methylphenyl)-[4-fluoro-3-(trifluoromethyl)phenyl]methanone
CID 107291351
(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027

Frequently Asked Questions

What is the IUPAC name of (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 102757184) is (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1cccc(F)c1Cl.
What is the InChIKey of (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is RWDYHCGVACXEOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-8-7-9(15(18,19)20)5-6-10(8)14(21)11-3-2-4-12(17)13(11)16/h2-7H,1H3.
What are the key properties of (2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(2-chloro-3-fluorophenyl)-[2-methyl-4-(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-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 102757184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).