(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone

C15H12F2O — CID 107129912

IUPAC(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O/c1-9-3-6-12(14(17)7-9)15(18)11-5-4-10(2)13(16)8-11/h3-8H,1-2H3
InChIKeyKZVHZWUKZHBTEC-UHFFFAOYSA-N
MW246.26 g/mol
LogP3.81
Rot. Bonds2

About (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone

(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 107129912) has the molecular formula C15H12F2O and a molecular weight of 246.26 g/mol. Its IUPAC name is (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID107129912
Molecular FormulaC15H12F2O
Molecular Weight246.26 g/mol
Exact Mass246.09
IUPAC Name(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(C)c(F)c2)c(F)c1
InChIInChI=1S/C15H12F2O/c1-9-3-6-12(14(17)7-9)15(18)11-5-4-10(2)13(16)8-11/h3-8H,1-2H3
InChIKeyKZVHZWUKZHBTEC-UHFFFAOYSA-N
XLogP3.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2,5-dimethylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337276
(3,4-difluorophenyl)-(2,5-dimethylphenyl)methanone
CID 43337256
(2-fluoro-4-methylphenyl)-[3-fluoro-4-(trifluoromethyl)phenyl]methanone
CID 107291200
(4-bromo-2-methylphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 103750489
(2-fluoro-4-methylphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 114970701
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(4-chloro-2-fluorophenyl)-(2,4-dimethylphenyl)methanone
CID 43160123
2-fluoro-1,4-dimethylbenzene;methane
CID 157153921
2-fluoro-1,4-dimethylbenzene;hydrochloride
CID 143804441
(3-bromo-4-methylphenyl)-(2,4-difluorophenyl)methanone
CID 81472431
(2,5-dimethoxyphenyl)-(3-fluoro-4-methylphenyl)methanone
CID 43337370
(3-aminonaphthalen-2-yl)-(3-fluoro-4-methylphenyl)methanone
CID 107129703

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone (CID 107129912) is (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(C)c(F)c2)c(F)c1.
What is the InChIKey of (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is KZVHZWUKZHBTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2O/c1-9-3-6-12(14(17)7-9)15(18)11-5-4-10(2)13(16)8-11/h3-8H,1-2H3.
What are the key properties of (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone?
(2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 246.26 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-4-methylphenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 107129912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).