2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile

C15H12FNO2 — CID 43334509

IUPAC2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
SMILESN#CC(C(=O)CCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C15H12FNO2/c16-12-4-1-3-11(9-12)14(10-17)15(18)7-6-13-5-2-8-19-13/h1-5,8-9,14H,6-7H2
InChIKeyGGTQLWCTKXBAPR-UHFFFAOYSA-N
MW257.26 g/mol
LogP3.23
Rot. Bonds5

About 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile

2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile (PubChem CID 43334509) has the molecular formula C15H12FNO2 and a molecular weight of 257.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile.

Molecular Properties

Compound Name2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
PubChem CID43334509
Molecular FormulaC15H12FNO2
Molecular Weight257.26 g/mol
Exact Mass257.09
IUPAC Name2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
SMILESN#CC(C(=O)CCc1ccco1)c1cccc(F)c1
InChIInChI=1S/C15H12FNO2/c16-12-4-1-3-11(9-12)14(10-17)15(18)7-6-13-5-2-8-19-13/h1-5,8-9,14H,6-7H2
InChIKeyGGTQLWCTKXBAPR-UHFFFAOYSA-N
XLogP3.23
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.26
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-3-oxohexanenitrile
CID 43157077
2-(3-fluorophenyl)-5-(4-methylphenyl)-3-oxopentanenitrile
CID 62503283
2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334018
2-(3-fluorophenyl)-3-oxo-6-phenylhexanenitrile
CID 43334507
1-(3-fluorophenyl)-3-(furan-2-yl)propan-1-amine
CID 105092774
2-cyano-3-(3-fluorophenyl)-N-(furan-2-ylmethyl)-3-oxopropanamide
CID 47052840
[1-(3-fluorophenyl)-3-(furan-2-yl)propyl]hydrazine
CID 105285501
1-(3-fluorophenyl)-N-[2-(furan-2-yl)ethyl]ethanamine
CID 43515429
1-(3,5-difluorophenyl)-3-(furan-2-yl)propan-1-one
CID 105095139
4-[2-[1-cyano-4-(furan-2-yl)-2-oxobutyl]-1,3-thiazol-4-yl]benzonitrile
CID 47597203
4-ethyl-1-(furan-2-yl)hexan-3-one
CID 105117415
(2R)-2-cyano-N-(furan-2-ylmethyl)-2-phenylacetamide
CID 951669

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The IUPAC name of 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile (CID 43334509) is 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile.
What is the SMILES notation for 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The canonical SMILES for 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile is N#CC(C(=O)CCc1ccco1)c1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The InChIKey is GGTQLWCTKXBAPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FNO2/c16-12-4-1-3-11(9-12)14(10-17)15(18)7-6-13-5-2-8-19-13/h1-5,8-9,14H,6-7H2.
What are the key properties of 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile has a molecular weight of 257.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile is sourced from PubChem (CID 43334509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).