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

C11H7FN2S — CID 2735894

IUPAC3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2
InChIKeyTYZQYMLLLAZYPN-UHFFFAOYSA-N
MW218.26 g/mol
LogP3.01
Rot. Bonds1

About 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile

3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile (PubChem CID 2735894) has the molecular formula C11H7FN2S and a molecular weight of 218.26 g/mol. Its IUPAC name is 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile.

Molecular Properties

Compound Name3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
PubChem CID2735894
Molecular FormulaC11H7FN2S
Molecular Weight218.26 g/mol
Exact Mass218.03
IUPAC Name3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile
SMILESN#Cc1sc(-c2ccc(F)cc2)cc1N
InChIInChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2
InChIKeyTYZQYMLLLAZYPN-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 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile?
The IUPAC name of 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile (CID 2735894) is 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile.
What is the SMILES notation for 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile?
The canonical SMILES for 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile is N#Cc1sc(-c2ccc(F)cc2)cc1N.
What is the InChIKey of 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile?
The InChIKey is TYZQYMLLLAZYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7FN2S/c12-8-3-1-7(2-4-8)10-5-9(14)11(6-13)15-10/h1-5H,14H2.
What are the key properties of 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile?
3-amino-5-(4-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 3-amino-5-(4-fluorophenyl)thiophene-2-carbonitrile is sourced from PubChem (CID 2735894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).