(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone

C14H8ClF3O — CID 81045029

IUPAC(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cccc2F)c(Cl)cc1F
InChIInChI=1S/C14H8ClF3O/c1-7-5-8(9(15)6-12(7)18)14(19)13-10(16)3-2-4-11(13)17/h2-6H,1H3
InChIKeyOBCHVCCOAZRPFQ-UHFFFAOYSA-N
MW284.66 g/mol
LogP4.30
Rot. Bonds2

About (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone

(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone (PubChem CID 81045029) has the molecular formula C14H8ClF3O and a molecular weight of 284.66 g/mol. Its IUPAC name is (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
PubChem CID81045029
Molecular FormulaC14H8ClF3O
Molecular Weight284.66 g/mol
Exact Mass284.02
IUPAC Name(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone
SMILESCc1cc(C(=O)c2c(F)cccc2F)c(Cl)cc1F
InChIInChI=1S/C14H8ClF3O/c1-7-5-8(9(15)6-12(7)18)14(19)13-10(16)3-2-4-11(13)17/h2-6H,1H3
InChIKeyOBCHVCCOAZRPFQ-UHFFFAOYSA-N
XLogP4.30
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.66
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(2-chloro-4-fluoro-5-methylphenyl)-(2,6-dimethoxyphenyl)methanone
CID 81047587
(2-chloro-4-fluoro-5-methylphenyl)-(2,5-dichlorophenyl)methanone
CID 81045885
(3-amino-2-chlorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 112580817
(2-chloro-4-fluoro-5-methylphenyl)-(4-chloro-2-fluorophenyl)methanone
CID 81045884
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2,6-difluorophenyl)ethanone
CID 81046039
1-(2-chloro-4-fluoro-5-methylphenyl)-2-(2-fluorophenyl)ethanone
CID 81045028
(2-chloro-6-fluorophenyl)-[2-methyl-4-(trifluoromethyl)phenyl]methanone
CID 102757029
(2-chloro-4,5-difluorophenyl)-(2,4,6-trimethylphenyl)methanone
CID 107475846
(2-bromo-5-methylphenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81110078
(3-bromo-4-fluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 114019742
(2-chloro-4-fluoro-5-methylphenyl)-thiophen-3-ylmethanone
CID 81044879
(5-amino-2,4-difluorophenyl)-(2-chloro-4-fluoro-5-methylphenyl)methanone
CID 81050999

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone?
The IUPAC name of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone (CID 81045029) is (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone.
What is the SMILES notation for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone?
The canonical SMILES for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone is Cc1cc(C(=O)c2c(F)cccc2F)c(Cl)cc1F.
What is the InChIKey of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone?
The InChIKey is OBCHVCCOAZRPFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3O/c1-7-5-8(9(15)6-12(7)18)14(19)13-10(16)3-2-4-11(13)17/h2-6H,1H3.
What are the key properties of (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone?
(2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone has a molecular weight of 284.66 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-fluoro-5-methylphenyl)-(2,6-difluorophenyl)methanone is sourced from PubChem (CID 81045029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).