2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile

C11H6ClFN2O — CID 82476521

IUPAC2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)c(Cl)c2)coc1N
InChIInChI=1S/C11H6ClFN2O/c12-9-3-6(1-2-10(9)13)8-5-16-11(15)7(8)4-14/h1-3,5H,15H2
InChIKeyCCIJBBFQKABDTE-UHFFFAOYSA-N
MW236.63 g/mol
LogP3.19
Rot. Bonds1

About 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile

2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile (PubChem CID 82476521) has the molecular formula C11H6ClFN2O and a molecular weight of 236.63 g/mol. Its IUPAC name is 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
PubChem CID82476521
Molecular FormulaC11H6ClFN2O
Molecular Weight236.63 g/mol
Exact Mass236.02
IUPAC Name2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)c(Cl)c2)coc1N
InChIInChI=1S/C11H6ClFN2O/c12-9-3-6(1-2-10(9)13)8-5-16-11(15)7(8)4-14/h1-3,5H,15H2
InChIKeyCCIJBBFQKABDTE-UHFFFAOYSA-N
XLogP3.19
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.63
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile (CID 82476521) is 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile is N#Cc1c(-c2ccc(F)c(Cl)c2)coc1N.
What is the InChIKey of 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile?
The InChIKey is CCIJBBFQKABDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O/c12-9-3-6(1-2-10(9)13)8-5-16-11(15)7(8)4-14/h1-3,5H,15H2.
What are the key properties of 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile?
2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile has a molecular weight of 236.63 g/mol, XLogP of 3.19, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chloro-4-fluorophenyl)furan-3-carbonitrile is sourced from PubChem (CID 82476521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).