(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine

C7H8F3NS — CID 55296383

IUPAC(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccsc1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m0/s1
InChIKeyLLBIWSVARQOCCY-LURJTMIESA-N
MW195.21 g/mol
LogP2.70
Rot. Bonds2

About (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine

(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine (PubChem CID 55296383) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine.

Molecular Properties

Compound Name(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
PubChem CID55296383
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine
SMILESN[C@@H](CC(F)(F)F)c1ccsc1
InChIInChI=1S/C7H8F3NS/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m0/s1
InChIKeyLLBIWSVARQOCCY-LURJTMIESA-N
XLogP2.70
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4,4,4-trifluoro-1-thiophen-3-ylbutan-1-amine
CID 64567617
3-(1-bromo-4,4,4-trifluorobutan-2-yl)thiophene
CID 121208230
2,2,2-trifluoro-1-thiophen-3-ylethanamine
CID 46785673
(1S)-3,3-difluoro-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171313205
(1R)-1-thiophen-3-ylpropan-1-amine;hydrochloride
CID 171210593
(3R)-3-amino-3-thiophen-3-ylpropan-1-ol
CID 1487793
3-amino-3-thiophen-3-ylpropanenitrile
CID 55293748
2-(4-fluorophenyl)sulfanyl-1-thiophen-3-ylethanamine
CID 66072212
3,3,3-trifluoro-1-(4-methylsulfanylphenyl)propan-1-amine
CID 112693648
(1R)-3-ethyl-1-thiophen-3-ylpentan-1-amine
CID 99621448
4,4,4-trifluoro-1-thiophen-3-ylbutan-1-ol
CID 64565518
2-cyclopropyl-1-thiophen-3-ylethanamine
CID 55293747

Frequently Asked Questions

What is the IUPAC name of (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine?
The IUPAC name of (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine (CID 55296383) is (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine.
What is the SMILES notation for (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine?
The canonical SMILES for (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine is N[C@@H](CC(F)(F)F)c1ccsc1.
What is the InChIKey of (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine?
The InChIKey is LLBIWSVARQOCCY-LURJTMIESA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)3-6(11)5-1-2-12-4-5/h1-2,4,6H,3,11H2/t6-/m0/s1.
What are the key properties of (1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine?
(1S)-3,3,3-trifluoro-1-thiophen-3-ylpropan-1-amine has a molecular weight of 195.21 g/mol, XLogP of 2.70, 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-thiophen-3-ylpropan-1-amine is sourced from PubChem (CID 55296383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).