(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine

C8H10F3NS — CID 103693064

IUPAC(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-5-2-3-13-7(5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1
InChIKeyZRNGEZSUFNWWHZ-LURJTMIESA-N
MW209.24 g/mol
LogP3.01
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine

(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine (PubChem CID 103693064) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
PubChem CID103693064
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine
SMILESCc1ccsc1[C@@H](N)CC(F)(F)F
InChIInChI=1S/C8H10F3NS/c1-5-2-3-13-7(5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1
InChIKeyZRNGEZSUFNWWHZ-LURJTMIESA-N
XLogP3.01
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1S)-4,4,4-trifluoro-1-(3-methylthiophen-2-yl)butan-1-amine;hydrochloride
CID 171222723
(1R)-3,3-difluoro-1-(3-methylthiophen-2-yl)propan-1-amine
CID 171313604
N'-methyl-1-(3-methylthiophen-2-yl)ethane-1,2-diamine
CID 116932549
(1S)-4-methyl-1-(3-methylthiophen-2-yl)pentan-1-amine;hydrochloride
CID 171222736
(3S)-3-amino-2,2-difluoro-3-(3-methylthiophen-2-yl)propan-1-ol
CID 130722221
(1R)-1-(3-methylthiophen-2-yl)pentan-1-amine
CID 55276293
2,4-diamino-4-(3-methylthiophen-2-yl)butanoic acid
CID 116942752
(1S)-2,2-difluoro-1-(3-methylthiophen-2-yl)ethanamine
CID 130649294
1-(3-methylthiophen-2-yl)-2-[3-(trifluoromethyl)phenyl]ethanamine
CID 79988045
2-(4-methylphenyl)-1-(3-methylthiophen-2-yl)ethanamine
CID 61080016
(3S)-3-amino-3-(3-methylthiophen-2-yl)propanenitrile;hydrochloride
CID 171259927
(1S)-1-(3-methylthiophen-2-yl)pentane-1,5-diamine
CID 171222710

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine (CID 103693064) is (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine is Cc1ccsc1[C@@H](N)CC(F)(F)F.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
The InChIKey is ZRNGEZSUFNWWHZ-LURJTMIESA-N. The full InChI is InChI=1S/C8H10F3NS/c1-5-2-3-13-7(5)6(12)4-8(9,10)11/h2-3,6H,4,12H2,1H3/t6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine?
(1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine has a molecular weight of 209.24 g/mol, XLogP of 3.01, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-3,3,3-trifluoro-1-(3-methylthiophen-2-yl)propan-1-amine is sourced from PubChem (CID 103693064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).