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

C5H11F2NOS — CID 58684917

IUPAC3-(2,2-difluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC(F)F
InChIInChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2
InChIKeyHNNPJOGGNKLHRB-UHFFFAOYSA-N
MW171.21 g/mol
LogP0.35
Rot. Bonds5

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

3-(2,2-difluoroethylsulfinyl)propan-1-amine (PubChem CID 58684917) has the molecular formula C5H11F2NOS and a molecular weight of 171.21 g/mol. Its IUPAC name is 3-(2,2-difluoroethylsulfinyl)propan-1-amine.

Molecular Properties

Compound Name3-(2,2-difluoroethylsulfinyl)propan-1-amine
PubChem CID58684917
Molecular FormulaC5H11F2NOS
Molecular Weight171.21 g/mol
Exact Mass171.05
IUPAC Name3-(2,2-difluoroethylsulfinyl)propan-1-amine
SMILESNCCCS(=O)CC(F)F
InChIInChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2
InChIKeyHNNPJOGGNKLHRB-UHFFFAOYSA-N
XLogP0.35
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.21
LogP ≤ 50.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-((3,3,3-Trifluoropropyl)sulfanyl)ethan-1-amine
CID 58684527
3-Trifluoromethanesulfonylpropan-1-amine hydrochloride
CID 155822804
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane hydrochloride
CID 122163914
3-Difluoromethanesulfonylpropan-1-amine hydrochloride
CID 155821813
3-Trifluoromethanesulfonylpropan-1-amine
CID 58111722
3-(2,2,2-Trifluoroethylsulfonyl)propan-1-amine
CID 58684065
3-(3,3,3-Trifluoropropylsulfinyl)propan-1-amine
CID 58684096
2-(2-Aminoethanesulfinyl)-1,1,1-trifluoroethane
CID 58684100
3-(3,3,3-Trifluoropropylsulfanyl)propan-1-amine
CID 58684114
3-(3-Fluoropropylsulfonyl)propan-1-amine
CID 58684153
3-(2,2,2-Trifluoroethylsulfinyl)propan-1-amine
CID 58684156
3-(4,4,4-Trifluorobutylsulfanyl)propan-1-amine
CID 58684226

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
The IUPAC name of 3-(2,2-difluoroethylsulfinyl)propan-1-amine (CID 58684917) is 3-(2,2-difluoroethylsulfinyl)propan-1-amine.
What is the SMILES notation for 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
The canonical SMILES for 3-(2,2-difluoroethylsulfinyl)propan-1-amine is NCCCS(=O)CC(F)F.
What is the InChIKey of 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
The InChIKey is HNNPJOGGNKLHRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F2NOS/c6-5(7)4-10(9)3-1-2-8/h5H,1-4,8H2.
What are the key properties of 3-(2,2-difluoroethylsulfinyl)propan-1-amine?
3-(2,2-difluoroethylsulfinyl)propan-1-amine has a molecular weight of 171.21 g/mol, XLogP of 0.35, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethylsulfinyl)propan-1-amine is sourced from PubChem (CID 58684917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).