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

C8H14F3NS — CID 107132081

IUPAC3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CCSC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h7,12H,1-6H2
InChIKeyZHTJQCKBDGNAPY-UHFFFAOYSA-N
MW213.27 g/mol
LogP2.28
Rot. Bonds4

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

3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine (PubChem CID 107132081) has the molecular formula C8H14F3NS and a molecular weight of 213.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine
PubChem CID107132081
Molecular FormulaC8H14F3NS
Molecular Weight213.27 g/mol
Exact Mass213.08
IUPAC Name3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine
SMILESFC(F)(F)CCNCC1CCSC1
InChIInChI=1S/C8H14F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h7,12H,1-6H2
InChIKeyZHTJQCKBDGNAPY-UHFFFAOYSA-N
XLogP2.28
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.27
LogP ≤ 52.28
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-(thiolan-3-ylmethyl)propan-1-amine?
The IUPAC name of 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine (CID 107132081) is 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine.
What is the SMILES notation for 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
The canonical SMILES for 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine is FC(F)(F)CCNCC1CCSC1.
What is the InChIKey of 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
The InChIKey is ZHTJQCKBDGNAPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NS/c9-8(10,11)2-3-12-5-7-1-4-13-6-7/h7,12H,1-6H2.
What are the key properties of 3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine?
3,3,3-trifluoro-N-(thiolan-3-ylmethyl)propan-1-amine has a molecular weight of 213.27 g/mol, XLogP of 2.28, 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-(thiolan-3-ylmethyl)propan-1-amine is sourced from PubChem (CID 107132081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).