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

C15H9ClF4O — CID 107996851

IUPAC(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H9ClF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-12(16)13(17)7-9/h2-7H,1H3
InChIKeyQVJMYBYUDHSHFG-UHFFFAOYSA-N
MW316.68 g/mol
LogP5.04
Rot. Bonds2

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

(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (PubChem CID 107996851) has the molecular formula C15H9ClF4O and a molecular weight of 316.68 g/mol. Its IUPAC name is (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
PubChem CID107996851
Molecular FormulaC15H9ClF4O
Molecular Weight316.68 g/mol
Exact Mass316.03
IUPAC Name(4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
SMILESCc1cc(C(F)(F)F)ccc1C(=O)c1ccc(Cl)c(F)c1
InChIInChI=1S/C15H9ClF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-12(16)13(17)7-9/h2-7H,1H3
InChIKeyQVJMYBYUDHSHFG-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

(3,4-dimethylphenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757027
(2-chloro-4-pyridinyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752678
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(2-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757184
(4-chloro-3-fluorophenyl)-(4-fluoro-2,6-dimethylphenyl)methanone
CID 107998445
(4-chloro-3-fluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107998197
(2,4-dimethylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 43337889
(2,5-difluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102752464
(4-amino-3-bromophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102756821
(2,4-dimethylphenyl)-[3-(trifluoromethyl)phenyl]methanone
CID 43337913
[2-amino-5-(trifluoromethyl)phenyl]-(4-fluoro-3-methylphenyl)methanone
CID 115911568
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone (CID 107996851) is (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is Cc1cc(C(F)(F)F)ccc1C(=O)c1ccc(Cl)c(F)c1.
What is the InChIKey of (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is QVJMYBYUDHSHFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF4O/c1-8-6-10(15(18,19)20)3-4-11(8)14(21)9-2-5-12(16)13(17)7-9/h2-7H,1H3.
What are the key properties of (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone?
(4-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 (4-chloro-3-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 107996851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).