[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone

C20H12F4O2 — CID 58068029

IUPAC[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone
SMILESCOc1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1
InChIInChI=1S/C20H12F4O2/c1-26-13-4-2-3-11(9-13)14-7-8-16(22)18(19(14)24)20(25)15-6-5-12(21)10-17(15)23/h2-10H,1H3
InChIKeyFJUNIGZJRMKMBZ-UHFFFAOYSA-N
MW360.31 g/mol
LogP5.15
Rot. Bonds4

About [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone

[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone (PubChem CID 58068029) has the molecular formula C20H12F4O2 and a molecular weight of 360.31 g/mol. Its IUPAC name is [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone.

Molecular Properties

Compound Name[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone
PubChem CID58068029
Molecular FormulaC20H12F4O2
Molecular Weight360.31 g/mol
Exact Mass360.08
IUPAC Name[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone
SMILESCOc1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1
InChIInChI=1S/C20H12F4O2/c1-26-13-4-2-3-11(9-13)14-7-8-16(22)18(19(14)24)20(25)15-6-5-12(21)10-17(15)23/h2-10H,1H3
InChIKeyFJUNIGZJRMKMBZ-UHFFFAOYSA-N
XLogP5.15
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.31
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-fluoro-6-(3-methoxyphenyl)phenyl]ethanone
CID 175686725
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
5-chloro-2-(3-methoxyphenyl)benzoic acid
CID 39232676
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
1-(2,4-difluorophenyl)-2-(3-methoxyphenyl)ethanone
CID 43337712
4-fluoro-1-[4-fluoro-2-(3-methoxyphenyl)phenyl]sulfanyl-2-(3-methoxyphenyl)benzene
CID 141399612
(4-chloro-2-fluorophenyl)-(2,6-dimethoxyphenyl)methanone
CID 116809979
2-fluoro-6-(3-methoxyphenyl)phenol
CID 171109408
methyl 3-fluoro-4-(3-methoxyphenyl)benzoate
CID 75488340
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
2,4-difluoro-N-[3-(3-methoxyphenyl)-5-propyl-1H-pyrazol-4-yl]benzamide
CID 42686957
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172

Frequently Asked Questions

What is the IUPAC name of [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone?
The IUPAC name of [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone (CID 58068029) is [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone.
What is the SMILES notation for [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone?
The canonical SMILES for [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone is COc1cccc(-c2ccc(F)c(C(=O)c3ccc(F)cc3F)c2F)c1.
What is the InChIKey of [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone?
The InChIKey is FJUNIGZJRMKMBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F4O2/c1-26-13-4-2-3-11(9-13)14-7-8-16(22)18(19(14)24)20(25)15-6-5-12(21)10-17(15)23/h2-10H,1H3.
What are the key properties of [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone?
[2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone has a molecular weight of 360.31 g/mol, XLogP of 5.15, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2,6-difluoro-3-(3-methoxyphenyl)phenyl]-(2,4-difluorophenyl)methanone is sourced from PubChem (CID 58068029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).