1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine

C7H8F3NS — CID 51358614

IUPAC1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2
InChIKeyJZIOYEJXMKNDLL-UHFFFAOYSA-N
MW195.21 g/mol
LogP2.18
Rot. Bonds2

About 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine

1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine (PubChem CID 51358614) has the molecular formula C7H8F3NS and a molecular weight of 195.21 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine.

Molecular Properties

Compound Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
PubChem CID51358614
Molecular FormulaC7H8F3NS
Molecular Weight195.21 g/mol
Exact Mass195.03
IUPAC Name1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine
SMILESNC(Cc1ccsc1)C(F)(F)F
InChIInChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2
InChIKeyJZIOYEJXMKNDLL-UHFFFAOYSA-N
XLogP2.18
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 ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The IUPAC name of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine (CID 51358614) is 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine.
What is the SMILES notation for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The canonical SMILES for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine is NC(Cc1ccsc1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
The InChIKey is JZIOYEJXMKNDLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NS/c8-7(9,10)6(11)3-5-1-2-12-4-5/h1-2,4,6H,3,11H2.
What are the key properties of 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine?
1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine has a molecular weight of 195.21 g/mol, XLogP of 2.18, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-thiophen-3-ylpropan-2-amine is sourced from PubChem (CID 51358614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).