2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile

C15H11ClFNO2 — CID 43334018

IUPAC2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
SMILESN#CC(C(=O)CCc1ccco1)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFNO2/c16-12-4-1-5-13(17)15(12)11(9-18)14(19)7-6-10-3-2-8-20-10/h1-5,8,11H,6-7H2
InChIKeyLNBHKRDGSWHRPL-UHFFFAOYSA-N
MW291.71 g/mol
LogP3.88
Rot. Bonds5

About 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile

2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile (PubChem CID 43334018) has the molecular formula C15H11ClFNO2 and a molecular weight of 291.71 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
PubChem CID43334018
Molecular FormulaC15H11ClFNO2
Molecular Weight291.71 g/mol
Exact Mass291.05
IUPAC Name2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
SMILESN#CC(C(=O)CCc1ccco1)c1c(F)cccc1Cl
InChIInChI=1S/C15H11ClFNO2/c16-12-4-1-5-13(17)15(12)11(9-18)14(19)7-6-10-3-2-8-20-10/h1-5,8,11H,6-7H2
InChIKeyLNBHKRDGSWHRPL-UHFFFAOYSA-N
XLogP3.88
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.71
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334509
2-(2-chloro-6-fluorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43334022
2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156823
2-(2-chloro-6-fluorophenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 113422114
2-(2,6-dichlorophenyl)-3-oxopentanenitrile
CID 43156692
N-(2-cyano-3-fluorophenyl)-3-(furan-2-yl)propanamide
CID 43580455
2-(2-chloro-6-fluorophenyl)-3-(3,5-dibromophenyl)-3-oxopropanenitrile
CID 107972423
2-(2-chloro-6-fluorophenyl)-N-(furan-2-ylmethyl)acetamide
CID 2161159
2-(2-chloro-6-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79213195
(2-fluorophenyl) 3-(furan-2-yl)propanoate
CID 78776978
4-[2-[1-cyano-4-(furan-2-yl)-2-oxobutyl]-1,3-thiazol-4-yl]benzonitrile
CID 47597203
2-(2,6-dichlorophenyl)-4,4,4-trifluoro-3-oxobutanenitrile
CID 15613829

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile (CID 43334018) is 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile is N#CC(C(=O)CCc1ccco1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
The InChIKey is LNBHKRDGSWHRPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFNO2/c16-12-4-1-5-13(17)15(12)11(9-18)14(19)7-6-10-3-2-8-20-10/h1-5,8,11H,6-7H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile?
2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile has a molecular weight of 291.71 g/mol, XLogP of 3.88, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile is sourced from PubChem (CID 43334018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).