1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone

C15H14F2O2 — CID 114224631

IUPAC1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESO=C(CC1CCC(F)(F)C1)c1coc2ccccc12
InChIInChI=1S/C15H14F2O2/c16-15(17)6-5-10(8-15)7-13(18)12-9-19-14-4-2-1-3-11(12)14/h1-4,9-10H,5-8H2
InChIKeyHMGYVIHDQYXGHU-UHFFFAOYSA-N
MW264.27 g/mol
LogP4.44
Rot. Bonds3

About 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone

1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone (PubChem CID 114224631) has the molecular formula C15H14F2O2 and a molecular weight of 264.27 g/mol. Its IUPAC name is 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone.

Molecular Properties

Compound Name1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone
PubChem CID114224631
Molecular FormulaC15H14F2O2
Molecular Weight264.27 g/mol
Exact Mass264.10
IUPAC Name1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone
SMILESO=C(CC1CCC(F)(F)C1)c1coc2ccccc12
InChIInChI=1S/C15H14F2O2/c16-15(17)6-5-10(8-15)7-13(18)12-9-19-14-4-2-1-3-11(12)14/h1-4,9-10H,5-8H2
InChIKeyHMGYVIHDQYXGHU-UHFFFAOYSA-N
XLogP4.44
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.27
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3,3-difluorocyclopentyl)-1-thiophen-2-ylethanone
CID 130487423
CID 89242212
CID 89242212
1-(1-benzofuran-3-yl)-2-chloroethanone
CID 77174807
1-(1-benzofuran-3-yl)-2-[cyclopropylmethyl(methyl)amino]ethanone
CID 54884312
1-(1-benzofuran-3-yl)-2-(oxan-4-ylsulfanyl)ethanone
CID 62997188
2-(benzenesulfinyl)-1-(1-benzofuran-3-yl)ethanone
CID 64636092
2-(3,3-difluorocyclopentyl)-1-thiophen-3-ylethanone
CID 130487424
1-benzofuran-3-yl-(1-methylcyclopropyl)methanone
CID 164656337
1-(1-benzofuran-3-yl)-2-hydroxypropan-1-one
CID 83697645
N-[1-(bromomethyl)-4-methylcyclohexyl]-1-benzofuran-3-carboxamide
CID 114315093
1-(5-bromo-2-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114224650
1-(2-amino-3-fluorophenyl)-2-(3,3-difluorocyclohexyl)ethanone
CID 114225591

Frequently Asked Questions

What is the IUPAC name of 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The IUPAC name of 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone (CID 114224631) is 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone.
What is the SMILES notation for 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The canonical SMILES for 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone is O=C(CC1CCC(F)(F)C1)c1coc2ccccc12.
What is the InChIKey of 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone?
The InChIKey is HMGYVIHDQYXGHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2O2/c16-15(17)6-5-10(8-15)7-13(18)12-9-19-14-4-2-1-3-11(12)14/h1-4,9-10H,5-8H2.
What are the key properties of 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone?
1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone has a molecular weight of 264.27 g/mol, XLogP of 4.44, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-benzofuran-3-yl)-2-(3,3-difluorocyclopentyl)ethanone is sourced from PubChem (CID 114224631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).