(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine

C8H9ClF3NS — CID 169041132

IUPAC(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
SMILESN[C@H](CCl)Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C8H9ClF3NS/c9-3-6(13)1-5-2-7(14-4-5)8(10,11)12/h2,4,6H,1,3,13H2/t6-/m0/s1
InChIKeyREIFYQNNEKEZJH-LURJTMIESA-N
MW243.68 g/mol
LogP2.88
Rot. Bonds3

About (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine

(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine (PubChem CID 169041132) has the molecular formula C8H9ClF3NS and a molecular weight of 243.68 g/mol. Its IUPAC name is (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine.

Molecular Properties

Compound Name(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
PubChem CID169041132
Molecular FormulaC8H9ClF3NS
Molecular Weight243.68 g/mol
Exact Mass243.01
IUPAC Name(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
SMILESN[C@H](CCl)Cc1csc(C(F)(F)F)c1
InChIInChI=1S/C8H9ClF3NS/c9-3-6(13)1-5-2-7(14-4-5)8(10,11)12/h2,4,6H,1,3,13H2/t6-/m0/s1
InChIKeyREIFYQNNEKEZJH-LURJTMIESA-N
XLogP2.88
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.68
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-(3-Trifluoromethyl-thiophenyl)-2-ethylaminopropane
CID 129734993
4-[3-(Trifluoromethyl)thiophen-2-yl]butan-2-amine
CID 18466510
1-[3-(Trifluoromethyl)thiophen-2-yl]butan-2-amine
CID 70195734
2-[2-(Trifluoromethyl)thiophen-3-yl]ethanamine
CID 70238836
2-[4-(Trifluoromethyl)thiophen-2-yl]ethanamine
CID 82606091
1-Chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine
CID 162376666
(1S)-1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 28940391
(1R)-1-(2,5-dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 28940393
1-(2,5-Dimethylthiophen-3-yl)-3,3,3-trifluoropropan-1-amine
CID 43119775
1-(2,5-Dimethylthiophen-3-yl)-2,2-difluoroethan-1-amine
CID 45282705
2,2,2-Trifluoro-1-thiophen-3-ylmethyl-ethylamine hydrochloride
CID 53407259
1-[5-(Difluoromethyl)thiophen-3-yl]prop-2-en-1-amine
CID 55271008

Frequently Asked Questions

What is the IUPAC name of (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine?
The IUPAC name of (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine (CID 169041132) is (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine.
What is the SMILES notation for (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine?
The canonical SMILES for (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine is N[C@H](CCl)Cc1csc(C(F)(F)F)c1.
What is the InChIKey of (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine?
The InChIKey is REIFYQNNEKEZJH-LURJTMIESA-N. The full InChI is InChI=1S/C8H9ClF3NS/c9-3-6(13)1-5-2-7(14-4-5)8(10,11)12/h2,4,6H,1,3,13H2/t6-/m0/s1.
What are the key properties of (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine?
(2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine has a molecular weight of 243.68 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-chloro-3-[5-(trifluoromethyl)thiophen-3-yl]propan-2-amine is sourced from PubChem (CID 169041132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).