(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone

C14H9F3O2 — CID 43561111

IUPAC(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H9F3O2/c1-19-9-3-4-10(12(16)7-9)14(18)8-2-5-11(15)13(17)6-8/h2-7H,1H3
InChIKeyAIHPTWUEEKYPFK-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.34
Rot. Bonds3

About (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone

(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone (PubChem CID 43561111) has the molecular formula C14H9F3O2 and a molecular weight of 266.22 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
PubChem CID43561111
Molecular FormulaC14H9F3O2
Molecular Weight266.22 g/mol
Exact Mass266.06
IUPAC Name(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
SMILESCOc1ccc(C(=O)c2ccc(F)c(F)c2)c(F)c1
InChIInChI=1S/C14H9F3O2/c1-19-9-3-4-10(12(16)7-9)14(18)8-2-5-11(15)13(17)6-8/h2-7H,1H3
InChIKeyAIHPTWUEEKYPFK-UHFFFAOYSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4-chlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 22475222
(2-fluoro-4-methoxyphenyl)-(4-fluorophenyl)methanone
CID 22475212
(2-fluoro-4-methoxyphenyl)-(4-methylphenyl)methanone
CID 43561161
(2-fluoro-4-methoxyphenyl)-(4-methylsulfanylphenyl)methanone
CID 79215178
(3-bromo-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 61033565
(4-ethoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561120
(2-fluoro-4-methoxyphenyl)-[4-(trifluoromethyl)phenyl]methanone
CID 22314037
(4-methoxyphenyl)-(2,4,5-trifluorophenyl)methanone
CID 103693772
(2-fluoro-5-methoxyphenyl)-(4-methoxyphenyl)methanone
CID 102282476
(2,6-difluoro-4-methoxyphenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 102882225
(4-chloro-2-fluorophenyl)-(3,4-difluorophenyl)methanone
CID 43338232
2-(2-fluoro-4-methoxyphenyl)-2-oxoacetaldehyde;hydrate
CID 2783263

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone (CID 43561111) is (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone is COc1ccc(C(=O)c2ccc(F)c(F)c2)c(F)c1.
What is the InChIKey of (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone?
The InChIKey is AIHPTWUEEKYPFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F3O2/c1-19-9-3-4-10(12(16)7-9)14(18)8-2-5-11(15)13(17)6-8/h2-7H,1H3.
What are the key properties of (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone?
(3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone has a molecular weight of 266.22 g/mol, XLogP of 3.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-difluorophenyl)-(2-fluoro-4-methoxyphenyl)methanone is sourced from PubChem (CID 43561111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).