3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine

C6H12FNOS — CID 58684458

IUPAC3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine
SMILESC=C(F)CS(=O)CCCN
InChIInChI=1S/C6H12FNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2
InChIKeyWDPAZJTYRWLMJW-UHFFFAOYSA-N
MW165.23 g/mol
LogP0.57
Rot. Bonds5

About 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine

3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine (PubChem CID 58684458) has the molecular formula C6H12FNOS and a molecular weight of 165.23 g/mol. Its IUPAC name is 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine
PubChem CID58684458
Molecular FormulaC6H12FNOS
Molecular Weight165.23 g/mol
Exact Mass165.06
IUPAC Name3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine
SMILESC=C(F)CS(=O)CCCN
InChIInChI=1S/C6H12FNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2
InChIKeyWDPAZJTYRWLMJW-UHFFFAOYSA-N
XLogP0.57
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.23
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine (CID 58684458) is 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine is C=C(F)CS(=O)CCCN.
What is the InChIKey of 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine?
The InChIKey is WDPAZJTYRWLMJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12FNOS/c1-6(7)5-10(9)4-2-3-8/h1-5,8H2.
What are the key properties of 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine?
3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine has a molecular weight of 165.23 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoroprop-2-enylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).