2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine

C6H7F3N2S — CID 130000442

IUPAC2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine
SMILESNc1ccsc1C(N)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)5(11)4-3(10)1-2-12-4/h1-2,5H,10-11H2
InChIKeyLKRRZZYTEDTNIR-UHFFFAOYSA-N
MW196.20 g/mol
LogP1.89
Rot. Bonds1

About 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine

2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine (PubChem CID 130000442) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine.

Molecular Properties

Compound Name2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine
PubChem CID130000442
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine
SMILESNc1ccsc1C(N)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)5(11)4-3(10)1-2-12-4/h1-2,5H,10-11H2
InChIKeyLKRRZZYTEDTNIR-UHFFFAOYSA-N
XLogP1.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.20
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine?
The IUPAC name of 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine (CID 130000442) is 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine.
What is the SMILES notation for 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine?
The canonical SMILES for 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine is Nc1ccsc1C(N)C(F)(F)F.
What is the InChIKey of 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine?
The InChIKey is LKRRZZYTEDTNIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)5(11)4-3(10)1-2-12-4/h1-2,5H,10-11H2.
What are the key properties of 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine?
2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine has a molecular weight of 196.20 g/mol, XLogP of 1.89, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-amino-2,2,2-trifluoroethyl)thiophen-3-amine is sourced from PubChem (CID 130000442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).