3-(trifluoromethylsulfonyl)propan-1-amine

C4H8F3NO2S — CID 58111722

IUPAC3-(trifluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)11(9,10)3-1-2-8/h1-3,8H2
InChIKeyNORBCUTVRJLLHG-UHFFFAOYSA-N
MW191.17 g/mol
LogP0.27
Rot. Bonds3

About 3-(trifluoromethylsulfonyl)propan-1-amine

3-(trifluoromethylsulfonyl)propan-1-amine (PubChem CID 58111722) has the molecular formula C4H8F3NO2S and a molecular weight of 191.17 g/mol. Its IUPAC name is 3-(trifluoromethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(trifluoromethylsulfonyl)propan-1-amine
PubChem CID58111722
Molecular FormulaC4H8F3NO2S
Molecular Weight191.17 g/mol
Exact Mass191.02
IUPAC Name3-(trifluoromethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)C(F)(F)F
InChIInChI=1S/C4H8F3NO2S/c5-4(6,7)11(9,10)3-1-2-8/h1-3,8H2
InChIKeyNORBCUTVRJLLHG-UHFFFAOYSA-N
XLogP0.27
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.17
LogP ≤ 50.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(trifluoromethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(trifluoromethylsulfonyl)propan-1-amine (CID 58111722) is 3-(trifluoromethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(trifluoromethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(trifluoromethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)C(F)(F)F.
What is the InChIKey of 3-(trifluoromethylsulfonyl)propan-1-amine?
The InChIKey is NORBCUTVRJLLHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8F3NO2S/c5-4(6,7)11(9,10)3-1-2-8/h1-3,8H2.
What are the key properties of 3-(trifluoromethylsulfonyl)propan-1-amine?
3-(trifluoromethylsulfonyl)propan-1-amine has a molecular weight of 191.17 g/mol, XLogP of 0.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(trifluoromethylsulfonyl)propan-1-amine is sourced from PubChem (CID 58111722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).