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

C11H7FN2S — CID 3477107

IUPAC2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyLBDBBGMNVRDQID-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.01
Rot. Bonds1

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

2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile (PubChem CID 3477107) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile
PubChem CID3477107
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile
SMILESN#Cc1c(-c2ccc(F)cc2)csc1N
InChIInChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-6-15-11(14)9(10)5-13/h1-4,6H,14H2
InChIKeyLBDBBGMNVRDQID-UHFFFAOYSA-N
XLogP3.01
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 53.01
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)thiophene-3-carbonitrile?
The IUPAC name of 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile (CID 3477107) is 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile?
The canonical SMILES for 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile is N#Cc1c(-c2ccc(F)cc2)csc1N.
What is the InChIKey of 2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile?
The InChIKey is LBDBBGMNVRDQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/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)thiophene-3-carbonitrile?
2-amino-4-(4-fluorophenyl)thiophene-3-carbonitrile has a molecular weight of 218.26 g/mol, XLogP of 3.01, 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)thiophene-3-carbonitrile is sourced from PubChem (CID 3477107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).