2-(2,2-difluoroethylsulfonyl)ethanamine

C4H9F2NO2S — CID 58684575

IUPAC2-(2,2-difluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c5-4(6)3-10(8,9)2-1-7/h4H,1-3,7H2
InChIKeyKMGMVXSZGAIDRG-UHFFFAOYSA-N
MW173.18 g/mol
LogP-0.38
Rot. Bonds4

About 2-(2,2-difluoroethylsulfonyl)ethanamine

2-(2,2-difluoroethylsulfonyl)ethanamine (PubChem CID 58684575) has the molecular formula C4H9F2NO2S and a molecular weight of 173.18 g/mol. Its IUPAC name is 2-(2,2-difluoroethylsulfonyl)ethanamine.

Molecular Properties

Compound Name2-(2,2-difluoroethylsulfonyl)ethanamine
PubChem CID58684575
Molecular FormulaC4H9F2NO2S
Molecular Weight173.18 g/mol
Exact Mass173.03
IUPAC Name2-(2,2-difluoroethylsulfonyl)ethanamine
SMILESNCCS(=O)(=O)CC(F)F
InChIInChI=1S/C4H9F2NO2S/c5-4(6)3-10(8,9)2-1-7/h4H,1-3,7H2
InChIKeyKMGMVXSZGAIDRG-UHFFFAOYSA-N
XLogP-0.38
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.18
LogP ≤ 5-0.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethylsulfonyl)ethanamine?
The IUPAC name of 2-(2,2-difluoroethylsulfonyl)ethanamine (CID 58684575) is 2-(2,2-difluoroethylsulfonyl)ethanamine.
What is the SMILES notation for 2-(2,2-difluoroethylsulfonyl)ethanamine?
The canonical SMILES for 2-(2,2-difluoroethylsulfonyl)ethanamine is NCCS(=O)(=O)CC(F)F.
What is the InChIKey of 2-(2,2-difluoroethylsulfonyl)ethanamine?
The InChIKey is KMGMVXSZGAIDRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S/c5-4(6)3-10(8,9)2-1-7/h4H,1-3,7H2.
What are the key properties of 2-(2,2-difluoroethylsulfonyl)ethanamine?
2-(2,2-difluoroethylsulfonyl)ethanamine has a molecular weight of 173.18 g/mol, XLogP of -0.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethylsulfonyl)ethanamine is sourced from PubChem (CID 58684575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).