4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol

C6H6F3NOS — CID 130620035

IUPAC4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol
SMILESN[C@@H](c1csc(O)c1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)5(10)3-1-4(11)12-2-3/h1-2,5,11H,10H2/t5-/m0/s1
InChIKeyUHTKNGCWWIUJKC-YFKPBYRVSA-N
MW197.18 g/mol
LogP2.02
Rot. Bonds1

About 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol

4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol (PubChem CID 130620035) has the molecular formula C6H6F3NOS and a molecular weight of 197.18 g/mol. Its IUPAC name is 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol.

Molecular Properties

Compound Name4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol
PubChem CID130620035
Molecular FormulaC6H6F3NOS
Molecular Weight197.18 g/mol
Exact Mass197.01
IUPAC Name4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol
SMILESN[C@@H](c1csc(O)c1)C(F)(F)F
InChIInChI=1S/C6H6F3NOS/c7-6(8,9)5(10)3-1-4(11)12-2-3/h1-2,5,11H,10H2/t5-/m0/s1
InChIKeyUHTKNGCWWIUJKC-YFKPBYRVSA-N
XLogP2.02
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.18
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
4-[(1R)-1-aminopropyl]thiophen-2-ol
CID 130970107
4-[(1S)-1-amino-2,2,2-trifluoroethyl]-2,6-dibromophenol
CID 66510459
4-(1-amino-2,2,2-trifluoroethyl)phenol;hydrochloride
CID 138107889
2,2-difluoro-1-(5-methylthiophen-3-yl)propan-1-amine
CID 130665450
3-[(1R)-1-amino-2,2,2-trifluoroethyl]phenol;hydrochloride
CID 171238998
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-methylphenol
CID 66510873
4-[(1R)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 66510341
5-[(1S)-1-amino-2,2,2-trifluoroethyl]-2-bromophenol
CID 130612128
(1S)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 56971921
(1R)-2,2,2-trifluoro-1-(3,4,5-trifluorophenyl)ethanamine
CID 56971920

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol?
The IUPAC name of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol (CID 130620035) is 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol.
What is the SMILES notation for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol?
The canonical SMILES for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol is N[C@@H](c1csc(O)c1)C(F)(F)F.
What is the InChIKey of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol?
The InChIKey is UHTKNGCWWIUJKC-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H6F3NOS/c7-6(8,9)5(10)3-1-4(11)12-2-3/h1-2,5,11H,10H2/t5-/m0/s1.
What are the key properties of 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol?
4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol has a molecular weight of 197.18 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1S)-1-amino-2,2,2-trifluoroethyl]thiophen-2-ol is sourced from PubChem (CID 130620035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).