3-(3-fluoropropylsulfinyl)propan-1-amine

C6H14FNOS — CID 58684382

IUPAC3-(3-fluoropropylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCCF
InChIInChI=1S/C6H14FNOS/c7-3-1-5-10(9)6-2-4-8/h1-6,8H2
InChIKeyOYMFWNDKTJASRF-UHFFFAOYSA-N
MW167.25 g/mol
LogP0.44
Rot. Bonds6

About 3-(3-fluoropropylsulfinyl)propan-1-amine

3-(3-fluoropropylsulfinyl)propan-1-amine (PubChem CID 58684382) has the molecular formula C6H14FNOS and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(3-fluoropropylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(3-fluoropropylsulfinyl)propan-1-amine
PubChem CID58684382
Molecular FormulaC6H14FNOS
Molecular Weight167.25 g/mol
Exact Mass167.08
IUPAC Name3-(3-fluoropropylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CCCF
InChIInChI=1S/C6H14FNOS/c7-3-1-5-10(9)6-2-4-8/h1-6,8H2
InChIKeyOYMFWNDKTJASRF-UHFFFAOYSA-N
XLogP0.44
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoropropylsulfinyl)propan-1-amine?
The IUPAC name of 3-(3-fluoropropylsulfinyl)propan-1-amine (CID 58684382) is 3-(3-fluoropropylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(3-fluoropropylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(3-fluoropropylsulfinyl)propan-1-amine is NCCCS(=O)CCCF.
What is the InChIKey of 3-(3-fluoropropylsulfinyl)propan-1-amine?
The InChIKey is OYMFWNDKTJASRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H14FNOS/c7-3-1-5-10(9)6-2-4-8/h1-6,8H2.
What are the key properties of 3-(3-fluoropropylsulfinyl)propan-1-amine?
3-(3-fluoropropylsulfinyl)propan-1-amine has a molecular weight of 167.25 g/mol, XLogP of 0.44, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoropropylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).