3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine

C8H10F3NS — CID 63226392

IUPAC3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h1,4,6,12H,2-3,5H2
InChIKeyKLPXXNNWYQRHEQ-UHFFFAOYSA-N
MW209.24 g/mol
LogP2.79
Rot. Bonds4

About 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine

3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine (PubChem CID 63226392) has the molecular formula C8H10F3NS and a molecular weight of 209.24 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine
PubChem CID63226392
Molecular FormulaC8H10F3NS
Molecular Weight209.24 g/mol
Exact Mass209.05
IUPAC Name3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCc1ccsc1
InChIInChI=1S/C8H10F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h1,4,6,12H,2-3,5H2
InChIKeyKLPXXNNWYQRHEQ-UHFFFAOYSA-N
XLogP2.79
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine (CID 63226392) is 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine is FC(F)(F)CCNCc1ccsc1.
What is the InChIKey of 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine?
The InChIKey is KLPXXNNWYQRHEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h1,4,6,12H,2-3,5H2.
What are the key properties of 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine has a molecular weight of 209.24 g/mol, XLogP of 2.79, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(thiophen-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 63226392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).