(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine

C7H8F3NS — CID 55296384

IUPAC(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
SMILESCc1csc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C7H8F3NS/c1-4-2-5(12-3-4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m1/s1
InChIKeyPSUDJLVQBDOWJF-ZCFIWIBFSA-N
MW195.21 g/mol
LogP2.62
Rot. Bonds1

About (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine

(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine (PubChem CID 55296384) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine.

Molecular Properties

Compound Name(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
PubChem CID55296384
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine
SMILESCc1csc([C@@H](N)C(F)(F)F)c1
InChIInChI=1S/C7H8F3NS/c1-4-2-5(12-3-4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m1/s1
InChIKeyPSUDJLVQBDOWJF-ZCFIWIBFSA-N
XLogP2.62
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanol
CID 144518338
(3S)-3-amino-2,2-dimethyl-3-(4-methylthiophen-2-yl)propanoic acid
CID 130623525
(1S)-2-methyl-1-(4-methylthiophen-2-yl)propan-1-amine
CID 55293617
1-amino-1-(4-methylthiophen-2-yl)propan-2-ol
CID 55283060
1-(4-methylthiophen-2-yl)prop-2-en-1-amine
CID 55294447
(1R)-2,2,2-trifluoro-1-(5-methylthiophen-3-yl)ethanamine
CID 55274092
2-amino-1-(4-methylthiophen-2-yl)propan-1-ol
CID 19422956
2,2,2-trifluoro-1-(3-methyl-1,2-thiazol-5-yl)ethanamine
CID 131084688
ethane;3-methyl-1-(4-methylthiophen-2-yl)butan-1-amine
CID 156724928
2-(4-methylthiophen-2-yl)propanamide
CID 90822856
(4-methylthiophen-2-yl)-(1,2-thiazol-5-yl)methanamine
CID 131015174
(1S)-1-(2-chloro-4-methylphenyl)-2,2,2-trifluoroethanamine
CID 66511493

Frequently Asked Questions

What is the IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine?
The IUPAC name of (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine (CID 55296384) is (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine.
What is the SMILES notation for (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine?
The canonical SMILES for (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine is Cc1csc([C@@H](N)C(F)(F)F)c1.
What is the InChIKey of (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine?
The InChIKey is PSUDJLVQBDOWJF-ZCFIWIBFSA-N. The full InChI is InChI=1S/C7H8F3NS/c1-4-2-5(12-3-4)6(11)7(8,9)10/h2-3,6H,11H2,1H3/t6-/m1/s1.
What are the key properties of (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine?
(1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine has a molecular weight of 195.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2,2,2-trifluoro-1-(4-methylthiophen-2-yl)ethanamine is sourced from PubChem (CID 55296384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).