3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine

C6H7F3N2S — CID 130985332

IUPAC3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine
SMILESNc1sccc1[C@H](N)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4H,10-11H2/t4-/m0/s1
InChIKeyGVCNTYULTRVFRH-BYPYZUCNSA-N
MW196.20 g/mol
LogP1.89
Rot. Bonds1

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

3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine (PubChem CID 130985332) has the molecular formula C6H7F3N2S and a molecular weight of 196.20 g/mol. Its IUPAC name is 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine.

Molecular Properties

Compound Name3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine
PubChem CID130985332
Molecular FormulaC6H7F3N2S
Molecular Weight196.20 g/mol
Exact Mass196.03
IUPAC Name3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine
SMILESNc1sccc1[C@H](N)C(F)(F)F
InChIInChI=1S/C6H7F3N2S/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4H,10-11H2/t4-/m0/s1
InChIKeyGVCNTYULTRVFRH-BYPYZUCNSA-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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Related Compounds

(1S)-1-(2-bromothiophen-3-yl)-2,2,2-trifluoroethanamine
CID 130648455
3-(1-amino-2,2,2-trifluoroethyl)thiophene-2-carbonitrile
CID 130000626
2-(1-amino-2,2,2-trifluoroethyl)aniline
CID 55273211
(1R)-2,2,2-trifluoro-1-(1,3-thiazol-2-yl)ethanamine
CID 92669809
(1R)-2,2,2-trifluoro-1-(2,3,4-trichlorophenyl)ethanamine
CID 66512062
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol
CID 55277980
2-[(1S)-1-amino-2,2,2-trifluoroethyl]phenol
CID 66510923
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
2-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 118797641
(1R)-2,2,2-trifluoro-1-(2,3,4-trifluorophenyl)ethanamine
CID 66511402
2-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 73424692
(1S)-1-(3-bromothiophen-2-yl)-2,2,3,3,3-pentafluoropropan-1-amine
CID 131352754

Frequently Asked Questions

What is the IUPAC name of 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine?
The IUPAC name of 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine (CID 130985332) is 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine.
What is the SMILES notation for 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine?
The canonical SMILES for 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine is Nc1sccc1[C@H](N)C(F)(F)F.
What is the InChIKey of 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine?
The InChIKey is GVCNTYULTRVFRH-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H7F3N2S/c7-6(8,9)4(10)3-1-2-12-5(3)11/h1-2,4H,10-11H2/t4-/m0/s1.
What are the key properties of 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine?
3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-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 3-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-amine is sourced from PubChem (CID 130985332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).