(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone

C18H13FO2 — CID 114725249

IUPAC(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H13FO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyQBAIKOGUPBKYMD-UHFFFAOYSA-N
MW280.30 g/mol
LogP4.49
Rot. Bonds3

About (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone

(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone (PubChem CID 114725249) has the molecular formula C18H13FO2 and a molecular weight of 280.30 g/mol. Its IUPAC name is (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone.

Molecular Properties

Compound Name(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
PubChem CID114725249
Molecular FormulaC18H13FO2
Molecular Weight280.30 g/mol
Exact Mass280.09
IUPAC Name(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone
SMILESO=C(c1cc2cc(F)ccc2o1)C1(c2ccccc2)CC1
InChIInChI=1S/C18H13FO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2
InChIKeyQBAIKOGUPBKYMD-UHFFFAOYSA-N
XLogP4.49
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.30
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[1-(aminomethyl)cyclobutyl]-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114737162
2,2-difluoro-1-(5-fluoro-1-benzofuran-2-yl)ethanone
CID 114726024
1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 65426130
(5-fluoro-1-benzofuran-2-yl)-(2-methyloxan-2-yl)methanone
CID 114725865
2,3-dihydro-1H-inden-2-yl-(5-fluoro-1-benzofuran-2-yl)methanone
CID 114725484
(2,2-dimethylcyclopropyl)-(5-fluoro-1-benzofuran-2-yl)methanone
CID 107004043
(5-fluoro-1-benzofuran-2-yl)-(2-methylphenyl)methanone
CID 113338112
(5-fluoro-1-benzofuran-2-yl)-morpholin-4-ylmethanone
CID 129197806
2-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736167
2,2,3,3,3-pentafluoro-1-(5-fluoro-1-benzofuran-2-yl)propan-1-one
CID 114038355
(5-fluoro-1-benzofuran-2-yl)-(2,4,6-trimethylphenyl)methanone
CID 115808993
3-amino-1-(5-fluoro-1-benzofuran-2-yl)-3-methylbutan-1-one
CID 114736778

Frequently Asked Questions

What is the IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone?
The IUPAC name of (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone (CID 114725249) is (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone.
What is the SMILES notation for (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone?
The canonical SMILES for (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone is O=C(c1cc2cc(F)ccc2o1)C1(c2ccccc2)CC1.
What is the InChIKey of (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone?
The InChIKey is QBAIKOGUPBKYMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FO2/c19-14-6-7-15-12(10-14)11-16(21-15)17(20)18(8-9-18)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2.
What are the key properties of (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone?
(5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone has a molecular weight of 280.30 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5-fluoro-1-benzofuran-2-yl)-(1-phenylcyclopropyl)methanone is sourced from PubChem (CID 114725249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).