3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine

C6H12F3NO2S — CID 58685040

IUPAC3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c7-6(8,9)2-5-13(11,12)4-1-3-10/h1-5,10H2
InChIKeyHSQBAQLVHWMNCX-UHFFFAOYSA-N
MW219.23 g/mol
LogP0.70
Rot. Bonds5

About 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine

3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine (PubChem CID 58685040) has the molecular formula C6H12F3NO2S and a molecular weight of 219.23 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
PubChem CID58685040
Molecular FormulaC6H12F3NO2S
Molecular Weight219.23 g/mol
Exact Mass219.05
IUPAC Name3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine
SMILESNCCCS(=O)(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NO2S/c7-6(8,9)2-5-13(11,12)4-1-3-10/h1-5,10H2
InChIKeyHSQBAQLVHWMNCX-UHFFFAOYSA-N
XLogP0.70
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.23
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine (CID 58685040) is 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine is NCCCS(=O)(=O)CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine?
The InChIKey is HSQBAQLVHWMNCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NO2S/c7-6(8,9)2-5-13(11,12)4-1-3-10/h1-5,10H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine?
3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine has a molecular weight of 219.23 g/mol, XLogP of 0.70, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfonyl)propan-1-amine is sourced from PubChem (CID 58685040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).