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

C6H12F3NOS — CID 58684096

IUPAC3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c7-6(8,9)2-5-12(11)4-1-3-10/h1-5,10H2
InChIKeyDNHTVROKKKNAPW-UHFFFAOYSA-N
MW203.23 g/mol
LogP1.04
Rot. Bonds5

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

3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (PubChem CID 58684096) has the molecular formula C6H12F3NOS and a molecular weight of 203.23 g/mol. Its IUPAC name is 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
PubChem CID58684096
Molecular FormulaC6H12F3NOS
Molecular Weight203.23 g/mol
Exact Mass203.06
IUPAC Name3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCC(F)(F)F
InChIInChI=1S/C6H12F3NOS/c7-6(8,9)2-5-12(11)4-1-3-10/h1-5,10H2
InChIKeyDNHTVROKKKNAPW-UHFFFAOYSA-N
XLogP1.04
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.23
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The IUPAC name of 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine (CID 58684096) is 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is NCCCS(=O)CCC(F)(F)F.
What is the InChIKey of 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
The InChIKey is DNHTVROKKKNAPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12F3NOS/c7-6(8,9)2-5-12(11)4-1-3-10/h1-5,10H2.
What are the key properties of 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine?
3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine has a molecular weight of 203.23 g/mol, XLogP of 1.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3,3-trifluoropropylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).