1-(4-fluorophenyl)-2-(furan-2-yl)ethanone

C12H9FO2 — CID 83172698

IUPAC1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h1-7H,8H2
InChIKeyXCZQXHBIIQOZNQ-UHFFFAOYSA-N
MW204.20 g/mol
LogP2.84
Rot. Bonds3

About 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone

1-(4-fluorophenyl)-2-(furan-2-yl)ethanone (PubChem CID 83172698) has the molecular formula C12H9FO2 and a molecular weight of 204.20 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
PubChem CID83172698
Molecular FormulaC12H9FO2
Molecular Weight204.20 g/mol
Exact Mass204.06
IUPAC Name1-(4-fluorophenyl)-2-(furan-2-yl)ethanone
SMILESO=C(Cc1ccco1)c1ccc(F)cc1
InChIInChI=1S/C12H9FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h1-7H,8H2
InChIKeyXCZQXHBIIQOZNQ-UHFFFAOYSA-N
XLogP2.84
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.20
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-fluorophenyl)-3-(furan-2-ylmethylamino)propan-1-one
CID 94266793
1-[4-(aminomethyl)phenyl]-2-(furan-2-yl)ethanone
CID 116548254
1-(3,4-dichlorophenyl)-2-(furan-2-yl)ethanone
CID 83172219
5-(4-fluorophenyl)-N-(furan-2-ylmethyl)-5-oxopentanamide
CID 110298073
1-(4-bromo-3,5-dimethylphenyl)-2-(furan-2-yl)ethanone
CID 114329742
4-fluoro-N-(furan-2-ylmethyl)-N-[(2-hydroxyphenyl)methyl]benzamide
CID 78798694
(3R)-1-(4-chlorophenyl)-3-(4-fluorophenyl)-3-(furan-2-ylmethylsulfanyl)propan-1-one
CID 1036551
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
N-cyclopentyl-4-fluoro-N-(furan-2-ylmethyl)benzamide
CID 60737869
[2-(furan-2-ylmethylamino)-2-oxoethyl] 4-fluorobenzoate
CID 2714972
2-(furan-2-yl)-1-thiophen-2-ylethanone
CID 83173067
2-(4-fluorophenyl)-N-(furan-2-ylmethyl)ethanamine;oxalic acid
CID 91969457

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone (CID 83172698) is 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone is O=C(Cc1ccco1)c1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone?
The InChIKey is XCZQXHBIIQOZNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9FO2/c13-10-5-3-9(4-6-10)12(14)8-11-2-1-7-15-11/h1-7H,8H2.
What are the key properties of 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone?
1-(4-fluorophenyl)-2-(furan-2-yl)ethanone has a molecular weight of 204.20 g/mol, XLogP of 2.84, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-(furan-2-yl)ethanone is sourced from PubChem (CID 83172698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).