(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

C15H7F3O2 — CID 115808883

IUPAC(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1cccc(F)c1F
InChIInChI=1S/C15H7F3O2/c16-9-4-5-12-8(6-9)7-13(20-12)15(19)10-2-1-3-11(17)14(10)18/h1-7H
InChIKeyFCEZAZKDCVRPAA-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.08
Rot. Bonds2

About (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone

(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115808883) has the molecular formula C15H7F3O2 and a molecular weight of 276.21 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115808883
Molecular FormulaC15H7F3O2
Molecular Weight276.21 g/mol
Exact Mass276.04
IUPAC Name(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)c1cccc(F)c1F
InChIInChI=1S/C15H7F3O2/c16-9-4-5-12-8(6-9)7-13(20-12)15(19)10-2-1-3-11(17)14(10)18/h1-7H
InChIKeyFCEZAZKDCVRPAA-UHFFFAOYSA-N
XLogP4.08
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.21
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(2-bromo-3,4-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107538000
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(3-bromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114724999
(5-fluoro-1-benzofuran-2-yl)-(2-methyl-3-pyridinyl)methanone
CID 105132409
(5-fluoro-1-benzofuran-2-yl)-(3-fluoro-5-methylphenyl)methanone
CID 114725891
(2,4-dibromophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107944793
(5-fluoro-1-benzofuran-2-yl)-(3-methoxyphenyl)methanone
CID 115766377
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
(3-ethyl-6-methylpyridazin-4-yl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 105132443
(5-chloro-1-benzofuran-2-yl)-(5-chloro-2-fluorophenyl)methanone
CID 114885265
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone (CID 115808883) is (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is O=C(c1cc2cc(F)ccc2o1)c1cccc(F)c1F.
What is the InChIKey of (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is FCEZAZKDCVRPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O2/c16-9-4-5-12-8(6-9)7-13(20-12)15(19)10-2-1-3-11(17)14(10)18/h1-7H.
What are the key properties of (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone?
(2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone has a molecular weight of 276.21 g/mol, XLogP of 4.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(5-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115808883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).