2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

C13H7ClFNO2 — CID 43156823

IUPAC2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H7ClFNO2/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9H
InChIKeyTWPJBANJOUZQFV-UHFFFAOYSA-N
MW263.65 g/mol
LogP3.56
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile

2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (PubChem CID 43156823) has the molecular formula C13H7ClFNO2 and a molecular weight of 263.65 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
PubChem CID43156823
Molecular FormulaC13H7ClFNO2
Molecular Weight263.65 g/mol
Exact Mass263.01
IUPAC Name2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
SMILESN#CC(C(=O)c1ccoc1)c1c(F)cccc1Cl
InChIInChI=1S/C13H7ClFNO2/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9H
InChIKeyTWPJBANJOUZQFV-UHFFFAOYSA-N
XLogP3.56
TPSA54.00 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.65
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-6-fluorophenyl)-3-(3,5-dibromophenyl)-3-oxopropanenitrile
CID 107972423
2-(4-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43156952
2-(2,4-dichlorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 43334414
2-(2,4-difluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 64561063
2-(2-chloro-6-fluorophenyl)-3-(2-methylsulfanylphenyl)-3-oxopropanenitrile
CID 79213195
2-(2,6-dichlorophenyl)-3-oxo-3-phenylpropanenitrile
CID 43333833
2-(2-chloro-6-fluorophenyl)-3-(3-methylthiophen-2-yl)-3-oxopropanenitrile
CID 43334060
2-(2-chloro-6-fluorophenyl)-5,5-dimethyl-3-oxohexanenitrile
CID 43334022
2-(2-chloro-6-fluorophenyl)-5-(furan-2-yl)-3-oxopentanenitrile
CID 43334018
2-(2-bromophenyl)-3-(furan-3-yl)-3-oxopropanenitrile
CID 62828421
3-(4-chloro-2-fluorophenyl)-2-(2,6-dichlorophenyl)-3-oxopropanenitrile
CID 43333874
2-(2-chloro-6-fluorophenyl)-4-methylsulfonyl-3-oxopentanenitrile
CID 113422114

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile (CID 43156823) is 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile is N#CC(C(=O)c1ccoc1)c1c(F)cccc1Cl.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
The InChIKey is TWPJBANJOUZQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClFNO2/c14-10-2-1-3-11(15)12(10)9(6-16)13(17)8-4-5-18-7-8/h1-5,7,9H.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile?
2-(2-chloro-6-fluorophenyl)-3-(furan-3-yl)-3-oxopropanenitrile has a molecular weight of 263.65 g/mol, XLogP of 3.56, 3 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)-3-(furan-3-yl)-3-oxopropanenitrile is sourced from PubChem (CID 43156823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).