(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone

C12H8ClFO2 — CID 116690863

IUPAC(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESO=C(c1cc2ccc(Cl)c(F)c2o1)C1CC1
InChIInChI=1S/C12H8ClFO2/c13-8-4-3-7-5-9(11(15)6-1-2-6)16-12(7)10(8)14/h3-6H,1-2H2
InChIKeyVSYJWLXIPUQCID-UHFFFAOYSA-N
MW238.64 g/mol
LogP3.82
Rot. Bonds2

About (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone

(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone (PubChem CID 116690863) has the molecular formula C12H8ClFO2 and a molecular weight of 238.64 g/mol. Its IUPAC name is (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone.

Molecular Properties

Compound Name(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone
PubChem CID116690863
Molecular FormulaC12H8ClFO2
Molecular Weight238.64 g/mol
Exact Mass238.02
IUPAC Name(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone
SMILESO=C(c1cc2ccc(Cl)c(F)c2o1)C1CC1
InChIInChI=1S/C12H8ClFO2/c13-8-4-3-7-5-9(11(15)6-1-2-6)16-12(7)10(8)14/h3-6H,1-2H2
InChIKeyVSYJWLXIPUQCID-UHFFFAOYSA-N
XLogP3.82
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.64
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

[4-(aminomethyl)cyclohexyl]-(7-fluoro-1-benzofuran-2-yl)methanone
CID 114737005
(5-chloro-7-methyl-1-benzofuran-2-yl)-cyclopropylmethanone
CID 65427632
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-2-yl)methanone
CID 114725485
(4,4-difluorocyclohexyl)-(7-fluoro-1-benzofuran-2-yl)methanone
CID 105132886
(7-chloro-1-benzofuran-2-yl)-(3-chloro-2-fluorophenyl)methanone
CID 114725319
(4-chloro-1-benzofuran-2-yl)-cyclopropylmethanone
CID 114321321
(7-chloro-1-benzofuran-2-yl)-(2,3-dihydro-1H-inden-1-yl)methanone
CID 114725492
[4-(aminomethyl)cyclohexyl]-(5-chloro-1-benzofuran-2-yl)methanone
CID 114737009
1-(6-chloro-7-fluoro-1-benzofuran-2-yl)ethanol
CID 116690892
(7-chloro-1-benzofuran-2-yl)-(3,4,5-trifluorophenyl)methanone
CID 114725112
(5-chloro-1-benzofuran-2-yl)-(4-propan-2-ylcyclohexyl)methanone
CID 114725457
(5-chloro-7-methoxy-1-benzofuran-2-yl)-cyclopentylmethanone
CID 104666651

Frequently Asked Questions

What is the IUPAC name of (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone?
The IUPAC name of (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone (CID 116690863) is (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone.
What is the SMILES notation for (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone?
The canonical SMILES for (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone is O=C(c1cc2ccc(Cl)c(F)c2o1)C1CC1.
What is the InChIKey of (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone?
The InChIKey is VSYJWLXIPUQCID-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClFO2/c13-8-4-3-7-5-9(11(15)6-1-2-6)16-12(7)10(8)14/h3-6H,1-2H2.
What are the key properties of (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone?
(6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone has a molecular weight of 238.64 g/mol, XLogP of 3.82, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-7-fluoro-1-benzofuran-2-yl)-cyclopropylmethanone is sourced from PubChem (CID 116690863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).