(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone

C14H8F4O — CID 82819637

IUPAC(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(F)cc(F)c2)c1F
InChIInChI=1S/C14H8F4O/c1-7-2-3-11(17)12(13(7)18)14(19)8-4-9(15)6-10(16)5-8/h2-6H,1H3
InChIKeyOSEVRGMAPFALTI-UHFFFAOYSA-N
MW268.21 g/mol
LogP3.78
Rot. Bonds2

About (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone

(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone (PubChem CID 82819637) has the molecular formula C14H8F4O and a molecular weight of 268.21 g/mol. Its IUPAC name is (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone.

Molecular Properties

Compound Name(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
PubChem CID82819637
Molecular FormulaC14H8F4O
Molecular Weight268.21 g/mol
Exact Mass268.05
IUPAC Name(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone
SMILESCc1ccc(F)c(C(=O)c2cc(F)cc(F)c2)c1F
InChIInChI=1S/C14H8F4O/c1-7-2-3-11(17)12(13(7)18)14(19)8-4-9(15)6-10(16)5-8/h2-6H,1H3
InChIKeyOSEVRGMAPFALTI-UHFFFAOYSA-N
XLogP3.78
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.21
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1-(2,6-difluoro-3-methylphenyl)-2-(3,5-difluorophenyl)ethanone
CID 82819556
(2,6-difluoro-3-methylphenyl)-(4-methoxy-3,5-dimethylphenyl)methanone
CID 83044009
(4-tert-butylphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82798017
(2,6-difluoro-3-methylphenyl)-(4-fluoro-3-methoxyphenyl)methanone
CID 115794384
(2,6-difluoro-3-methylphenyl)-(3-methoxy-4-methylphenyl)methanone
CID 115794368
(3-aminophenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 116548682
(3-bromo-2,6-difluorophenyl)-(4-bromo-3-methylphenyl)methanone
CID 106944351
(2,6-difluoro-3-methylphenyl)-(4,5-dimethylthiophen-2-yl)methanone
CID 115794313
1-(2,6-difluoro-3-methylphenyl)-2-(2,5-difluorophenyl)ethanone
CID 114963999
bis(3,5-difluorophenyl)methanone
CID 2760569
(2,6-difluoro-3-methylphenyl)-(1,3-dihydro-2-benzofuran-5-yl)methanone
CID 82814438
(3-bromo-4-methoxyphenyl)-(2,6-difluoro-3-methylphenyl)methanone
CID 82814937

Frequently Asked Questions

What is the IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone?
The IUPAC name of (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone (CID 82819637) is (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone.
What is the SMILES notation for (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone?
The canonical SMILES for (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone is Cc1ccc(F)c(C(=O)c2cc(F)cc(F)c2)c1F.
What is the InChIKey of (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone?
The InChIKey is OSEVRGMAPFALTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F4O/c1-7-2-3-11(17)12(13(7)18)14(19)8-4-9(15)6-10(16)5-8/h2-6H,1H3.
What are the key properties of (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone?
(2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone has a molecular weight of 268.21 g/mol, XLogP of 3.78, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluoro-3-methylphenyl)-(3,5-difluorophenyl)methanone is sourced from PubChem (CID 82819637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).