5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile

C11H7FN2S — CID 65436191

IUPAC5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2F)s1
InChIInChI=1S/C11H7FN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2
InChIKeyUUPKWEUGOOZRBZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.01
Rot. Bonds1

About 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile

5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile (PubChem CID 65436191) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile
PubChem CID65436191
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1ccc(-c2ccc(N)cc2F)s1
InChIInChI=1S/C11H7FN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2
InChIKeyUUPKWEUGOOZRBZ-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile?
The IUPAC name of 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile (CID 65436191) is 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile?
The canonical SMILES for 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile is N#Cc1ccc(-c2ccc(N)cc2F)s1.
What is the InChIKey of 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile?
The InChIKey is UUPKWEUGOOZRBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c12-10-5-7(14)1-3-9(10)11-4-2-8(6-13)15-11/h1-5H,14H2.
What are the key properties of 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile?
5-(4-amino-2-fluorophenyl)thiophene-2-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 5-(4-amino-2-fluorophenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 65436191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).