(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone

C13H7FO3 — CID 114725192

IUPAC(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H7FO3/c14-9-4-1-3-8-7-11(17-13(8)9)12(15)10-5-2-6-16-10/h1-7H
InChIKeyXNEQVQFUXSUFSY-UHFFFAOYSA-N
MW230.19 g/mol
LogP3.40
Rot. Bonds2

About (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone

(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone (PubChem CID 114725192) has the molecular formula C13H7FO3 and a molecular weight of 230.19 g/mol. Its IUPAC name is (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone.

Molecular Properties

Compound Name(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
PubChem CID114725192
Molecular FormulaC13H7FO3
Molecular Weight230.19 g/mol
Exact Mass230.04
IUPAC Name(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone
SMILESO=C(c1ccco1)c1cc2cccc(F)c2o1
InChIInChI=1S/C13H7FO3/c14-9-4-1-3-8-7-11(17-13(8)9)12(15)10-5-2-6-16-10/h1-7H
InChIKeyXNEQVQFUXSUFSY-UHFFFAOYSA-N
XLogP3.40
TPSA43.35 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

7-fluoro-1-benzofuran-2-carboxylic acid
CID 22244304
(3,5-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957454
(3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115957426
(5-bromo-2-chlorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809828
(2-bromo-3,4-difluorophenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 107538168
(3-bromothiophen-2-yl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809899
(7-fluoro-1-benzofuran-2-yl)-(5-iodothiophen-3-yl)methanone
CID 115810047
(7-fluoro-1-benzofuran-2-yl)-(4-nitrophenyl)methanone
CID 115957451
1-(7-fluoro-1-benzofuran-2-yl)-2-(prop-2-ynylamino)ethanone
CID 114736948
(2-chloro-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 106865191
(3-bromo-4-methylphenyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 115809878
(7-fluoro-1-benzofuran-2-yl)-(4-methyl-3-pyridinyl)methanone
CID 114877497

Frequently Asked Questions

What is the IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The IUPAC name of (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone (CID 114725192) is (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone.
What is the SMILES notation for (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The canonical SMILES for (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone is O=C(c1ccco1)c1cc2cccc(F)c2o1.
What is the InChIKey of (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone?
The InChIKey is XNEQVQFUXSUFSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7FO3/c14-9-4-1-3-8-7-11(17-13(8)9)12(15)10-5-2-6-16-10/h1-7H.
What are the key properties of (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone?
(7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone has a molecular weight of 230.19 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-fluoro-1-benzofuran-2-yl)-(furan-2-yl)methanone is sourced from PubChem (CID 114725192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).