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

C11H7FN2O — CID 69222371

IUPAC2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)coc1N
InChIInChI=1S/C11H7FN2O/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyICELRDKPQLVDNP-UHFFFAOYSA-N
MW202.19 g/mol
LogP2.54
Rot. Bonds1

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

2-amino-4-(4-fluorophenyl)furan-3-carbonitrile (PubChem CID 69222371) has the molecular formula C11H7FN2O and a molecular weight of 202.19 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
PubChem CID69222371
Molecular FormulaC11H7FN2O
Molecular Weight202.19 g/mol
Exact Mass202.05
IUPAC Name2-amino-4-(4-fluorophenyl)furan-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)coc1N
InChIInChI=1S/C11H7FN2O/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyICELRDKPQLVDNP-UHFFFAOYSA-N
XLogP2.54
TPSA62.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.19
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile (CID 69222371) is 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)coc1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile?
The InChIKey is ICELRDKPQLVDNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2O/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2.
What are the key properties of 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile?
2-amino-4-(4-fluorophenyl)furan-3-carbonitrile has a molecular weight of 202.19 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(4-fluorophenyl)furan-3-carbonitrile is sourced from PubChem (CID 69222371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).