(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone

C14H9ClF2O — CID 113254895

IUPAC(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H9ClF2O/c1-8-2-3-10(7-13(8)17)14(18)9-4-5-12(16)11(15)6-9/h2-7H,1H3
InChIKeySGDXPXGVRQPKOY-UHFFFAOYSA-N
MW266.67 g/mol
LogP4.16
Rot. Bonds2

About (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone

(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone (PubChem CID 113254895) has the molecular formula C14H9ClF2O and a molecular weight of 266.67 g/mol. Its IUPAC name is (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone.

Molecular Properties

Compound Name(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
PubChem CID113254895
Molecular FormulaC14H9ClF2O
Molecular Weight266.67 g/mol
Exact Mass266.03
IUPAC Name(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone
SMILESCc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1F
InChIInChI=1S/C14H9ClF2O/c1-8-2-3-10(7-13(8)17)14(18)9-4-5-12(16)11(15)6-9/h2-7H,1H3
InChIKeySGDXPXGVRQPKOY-UHFFFAOYSA-N
XLogP4.16
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

bis(3-chloro-4-fluorophenyl)methanone
CID 2740703
(3-chloro-4-fluorophenyl)-(3,5-dimethylphenyl)methanone
CID 55186407
(3-chloro-4-methylphenyl)-(4-fluoro-3-methylphenyl)methanone
CID 79736289
(3,4-difluorophenyl)-(3,4-dimethylphenyl)methanone
CID 583629
(3-chloro-4-fluorophenyl)-(3,5-dimethylthiophen-2-yl)methanone
CID 82875204
(5-chloro-2-pyridinyl)-(3-fluoro-4-methylphenyl)methanone
CID 107128378
(3-chloro-4-fluorophenyl)-(4-methylsulfonylphenyl)methanone
CID 21262863
(3-fluoro-4-methylphenyl)-(2,4,6-trimethylphenyl)methanone
CID 43337574
(5-bromo-4-methylthiophen-2-yl)-(3-chloro-4-fluorophenyl)methanone
CID 82875843
(3-chloro-4-fluorophenyl)-thiophen-3-ylmethanone
CID 24723405
(3-chloro-4-fluorophenyl)-(3-iodophenyl)methanone
CID 24723076
(3-chloro-4-fluorophenyl)-(2-methoxy-4,6-dimethylphenyl)methanone
CID 106679955

Frequently Asked Questions

What is the IUPAC name of (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone?
The IUPAC name of (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone (CID 113254895) is (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone.
What is the SMILES notation for (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone?
The canonical SMILES for (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone is Cc1ccc(C(=O)c2ccc(F)c(Cl)c2)cc1F.
What is the InChIKey of (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone?
The InChIKey is SGDXPXGVRQPKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9ClF2O/c1-8-2-3-10(7-13(8)17)14(18)9-4-5-12(16)11(15)6-9/h2-7H,1H3.
What are the key properties of (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone?
(3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone has a molecular weight of 266.67 g/mol, XLogP of 4.16, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-chloro-4-fluorophenyl)-(3-fluoro-4-methylphenyl)methanone is sourced from PubChem (CID 113254895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).