(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

C15H7F3O2 — CID 115957426

IUPAC(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H7F3O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H
InChIKeyXRFQJZJAUGLPPR-UHFFFAOYSA-N
MW276.21 g/mol
LogP4.08
Rot. Bonds2

About (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone

(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (PubChem CID 115957426) has the molecular formula C15H7F3O2 and a molecular weight of 276.21 g/mol. Its IUPAC name is (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.

Molecular Properties

Compound Name(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
PubChem CID115957426
Molecular FormulaC15H7F3O2
Molecular Weight276.21 g/mol
Exact Mass276.04
IUPAC Name(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
SMILESO=C(c1ccc(F)c(F)c1)c1cc2cccc(F)c2o1
InChIInChI=1S/C15H7F3O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H
InChIKeyXRFQJZJAUGLPPR-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

(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
2,3-dihydro-1H-indol-5-yl-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114736267
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
CID 114725192
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(7-fluoro-1-benzofuran-2-yl)-(1-methylpyrazol-4-yl)methanone
CID 112614555
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191

Frequently Asked Questions

What is the IUPAC name of (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The IUPAC name of (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone (CID 115957426) is (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone.
What is the SMILES notation for (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The canonical SMILES for (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is O=C(c1ccc(F)c(F)c1)c1cc2cccc(F)c2o1.
What is the InChIKey of (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
The InChIKey is XRFQJZJAUGLPPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7F3O2/c16-10-5-4-8(6-12(10)18)14(19)13-7-9-2-1-3-11(17)15(9)20-13/h1-7H.
What are the key properties of (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone?
(3,4-difluorophenyl)-(7-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 (3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone is sourced from PubChem (CID 115957426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).