(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone

C15H11F3O2 — CID 115794384

IUPAC(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1F
InChIInChI=1S/C15H11F3O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-10(16)12(7-9)20-2/h3-7H,1-2H3
InChIKeyKEENESKHCCZITD-UHFFFAOYSA-N
MW280.25 g/mol
LogP3.65
Rot. Bonds3

About (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone

(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone (PubChem CID 115794384) has the molecular formula C15H11F3O2 and a molecular weight of 280.25 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
PubChem CID115794384
Molecular FormulaC15H11F3O2
Molecular Weight280.25 g/mol
Exact Mass280.07
IUPAC Name(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1F
InChIInChI=1S/C15H11F3O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-10(16)12(7-9)20-2/h3-7H,1-2H3
InChIKeyKEENESKHCCZITD-UHFFFAOYSA-N
XLogP3.65
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.25
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937
(4-fluoro-3-methoxyphenyl)-(4-methoxy-3-methylphenyl)methanone
CID 81283370
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
CID 82819637
(3-chloro-4-methylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 113241963
2,2-dichloro-1-(4-fluoro-3-methoxyphenyl)ethanone
CID 130882674
(3-fluoro-5-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115787635
(4-fluoro-3-methoxyphenyl)-naphthalen-2-ylmethanone
CID 114970401
(5-chloro-2-methoxyphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 112694008
(4-fluoro-3,5-dimethylphenyl)-(2-fluoro-6-methoxyphenyl)methanone
CID 65433422
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone (CID 115794384) is (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone is COc1cc(C(=O)c2c(F)ccc(C)c2F)ccc1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
The InChIKey is KEENESKHCCZITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3O2/c1-8-3-5-11(17)13(14(8)18)15(19)9-4-6-10(16)12(7-9)20-2/h3-7H,1-2H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone?
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone has a molecular weight of 280.25 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone is sourced from PubChem (CID 115794384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).