3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine

C5H10F3NO2S — CID 58684065

IUPAC3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c6-5(7,8)4-12(10,11)3-1-2-9/h1-4,9H2
InChIKeyVDTAJFDXGKMXLC-UHFFFAOYSA-N
MW205.20 g/mol
LogP0.31
Rot. Bonds4

About 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine

3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine (PubChem CID 58684065) has the molecular formula C5H10F3NO2S and a molecular weight of 205.20 g/mol. Its IUPAC name is 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine
PubChem CID58684065
Molecular FormulaC5H10F3NO2S
Molecular Weight205.20 g/mol
Exact Mass205.04
IUPAC Name3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CC(F)(F)F
InChIInChI=1S/C5H10F3NO2S/c6-5(7,8)4-12(10,11)3-1-2-9/h1-4,9H2
InChIKeyVDTAJFDXGKMXLC-UHFFFAOYSA-N
XLogP0.31
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.20
LogP ≤ 50.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine?
The IUPAC name of 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine (CID 58684065) is 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CC(F)(F)F.
What is the InChIKey of 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine?
The InChIKey is VDTAJFDXGKMXLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H10F3NO2S/c6-5(7,8)4-12(10,11)3-1-2-9/h1-4,9H2.
What are the key properties of 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine?
3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine has a molecular weight of 205.20 g/mol, XLogP of 0.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2,2-trifluoroethylsulfonyl)propan-1-amine is sourced from PubChem (CID 58684065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).