(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine

C6H5ClF3NS — CID 88872336

IUPAC(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESFC(F)(F)[C@@H](NCl)c1ccsc1
InChIInChI=1S/C6H5ClF3NS/c7-11-5(6(8,9)10)4-1-2-12-3-4/h1-3,5,11H/t5-/m0/s1
InChIKeyZXBOAKHUWPMOOF-YFKPBYRVSA-N
MW215.63 g/mol
LogP3.09
Rot. Bonds2

About (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine

(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine (PubChem CID 88872336) has the molecular formula C6H5ClF3NS and a molecular weight of 215.63 g/mol. Its IUPAC name is (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine.

Molecular Properties

Compound Name(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine
PubChem CID88872336
Molecular FormulaC6H5ClF3NS
Molecular Weight215.63 g/mol
Exact Mass214.98
IUPAC Name(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine
SMILESFC(F)(F)[C@@H](NCl)c1ccsc1
InChIInChI=1S/C6H5ClF3NS/c7-11-5(6(8,9)10)4-1-2-12-3-4/h1-3,5,11H/t5-/m0/s1
InChIKeyZXBOAKHUWPMOOF-YFKPBYRVSA-N
XLogP3.09
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.63
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-halo', 'substructure': 'N/A'}

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Related Compounds

1-(Thiophen-3-yl)ethan-1-amine
CID 14249915
[5-(Trifluoromethyl)thiophen-3-yl]methanamine
CID 82654407
[4-(Trifluoromethyl)thiophen-2-yl]methanamine hydrochloride
CID 137944252
(1R)-1-(thiophen-3-yl)ethan-1-amine hydrochloride
CID 154575277
1-[3-(Difluoromethyl)thiophen-2-yl]methanamine hydrochloride
CID 165994215
2-(Thiophen-3-yl)-ethane-1,2-diamine
CID 43519541
(R)-2-methyl-N-[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]propane-2-sulfinamide
CID 58570325
2-Amino-2-(2-fluorothiophen-3-yl)acetonitrile
CID 139712612
2-Amino-2-(5-fluorothiophen-3-yl)acetonitrile
CID 139712683
[3-(Trifluoromethyl)thiophen-2-yl]methanamine
CID 142503429
tert-butyl-oxido-[[(1S)-2,2,2-trifluoro-1-thiophen-3-ylethyl]amino]sulfanium
CID 173465503
3-(Thiophen-3-yl)-propane-1,3-diamine
CID 129759736

Frequently Asked Questions

What is the IUPAC name of (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The IUPAC name of (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine (CID 88872336) is (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine.
What is the SMILES notation for (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The canonical SMILES for (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine is FC(F)(F)[C@@H](NCl)c1ccsc1.
What is the InChIKey of (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
The InChIKey is ZXBOAKHUWPMOOF-YFKPBYRVSA-N. The full InChI is InChI=1S/C6H5ClF3NS/c7-11-5(6(8,9)10)4-1-2-12-3-4/h1-3,5,11H/t5-/m0/s1.
What are the key properties of (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine?
(1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine has a molecular weight of 215.63 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-chloro-2,2,2-trifluoro-1-thiophen-3-ylethanamine is sourced from PubChem (CID 88872336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).