2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

C13H8FNO2 — CID 43156952

IUPAC2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12H
InChIKeyYWQSZVYMFXEZRA-UHFFFAOYSA-N
MW229.21 g/mol
LogP2.91
Rot. Bonds3

About 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (PubChem CID 43156952) has the molecular formula C13H8FNO2 and a molecular weight of 229.21 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
PubChem CID43156952
Molecular FormulaC13H8FNO2
Molecular Weight229.21 g/mol
Exact Mass229.05
IUPAC Name2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1ccc(F)cc1
InChIInChI=1S/C13H8FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12H
InChIKeyYWQSZVYMFXEZRA-UHFFFAOYSA-N
XLogP2.91
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(4-ethoxyphenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334740
2-(4-fluorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43334212
2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156823
2-(2-bromophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 62828421
3-(4-ethylphenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334247
2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334414
2-(4-fluorophenyl)-3-(5-iodothiophen-3-yl)-3-oxopropanenitrile
CID 79693426
3-(2-fluorophenyl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334238
3-(5-bromofuran-2-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 43334246
N-[4-[2-cyano-2-(4-fluorophenyl)acetyl]-2-pyridinyl]acetamide
CID 11162289
3-(2,3-dihydro-1-benzofuran-5-yl)-2-(4-fluorophenyl)-3-oxopropanenitrile
CID 62201071

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (CID 43156952) is 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile is N#CC(C(=O)c1ccoc1)c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The InChIKey is YWQSZVYMFXEZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8FNO2/c14-11-3-1-9(2-4-11)12(7-15)13(16)10-5-6-17-8-10/h1-6,8,12H.
What are the key properties of 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile has a molecular weight of 229.21 g/mol, XLogP of 2.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 43156952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).