5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile

C7H5F3N2S — CID 130000657

IUPAC5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(C(N)C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)6(12)5-1-4(2-11)3-13-5/h1,3,6H,12H2
InChIKeyLOTYTTKNICACMU-UHFFFAOYSA-N
MW206.19 g/mol
LogP2.18
Rot. Bonds1

About 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile

5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile (PubChem CID 130000657) has the molecular formula C7H5F3N2S and a molecular weight of 206.19 g/mol. Its IUPAC name is 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile.

Molecular Properties

Compound Name5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile
PubChem CID130000657
Molecular FormulaC7H5F3N2S
Molecular Weight206.19 g/mol
Exact Mass206.01
IUPAC Name5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile
SMILESN#Cc1csc(C(N)C(F)(F)F)c1
InChIInChI=1S/C7H5F3N2S/c8-7(9,10)6(12)5-1-4(2-11)3-13-5/h1,3,6H,12H2
InChIKeyLOTYTTKNICACMU-UHFFFAOYSA-N
XLogP2.18
TPSA49.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.19
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile?
The IUPAC name of 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile (CID 130000657) is 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile.
What is the SMILES notation for 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile?
The canonical SMILES for 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile is N#Cc1csc(C(N)C(F)(F)F)c1.
What is the InChIKey of 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile?
The InChIKey is LOTYTTKNICACMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N2S/c8-7(9,10)6(12)5-1-4(2-11)3-13-5/h1,3,6H,12H2.
What are the key properties of 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile?
5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile has a molecular weight of 206.19 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-amino-2,2,2-trifluoroethyl)thiophene-3-carbonitrile is sourced from PubChem (CID 130000657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).