2-(difluoromethylsulfonyl)ethanamine;hydrochloride

C3H8ClF2NO2S — CID 154832814

IUPAC2-(difluoromethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2NO2S.ClH/c4-3(5)9(7,8)2-1-6;/h3H,1-2,6H2;1H
InChIKeyICBOOSGIAWZWBL-UHFFFAOYSA-N
MW195.62 g/mol
LogP0.00
Rot. Bonds3

About 2-(difluoromethylsulfonyl)ethanamine;hydrochloride

2-(difluoromethylsulfonyl)ethanamine;hydrochloride (PubChem CID 154832814) has the molecular formula C3H8ClF2NO2S and a molecular weight of 195.62 g/mol. Its IUPAC name is 2-(difluoromethylsulfonyl)ethanamine;hydrochloride.

Molecular Properties

Compound Name2-(difluoromethylsulfonyl)ethanamine;hydrochloride
PubChem CID154832814
Molecular FormulaC3H8ClF2NO2S
Molecular Weight195.62 g/mol
Exact Mass194.99
IUPAC Name2-(difluoromethylsulfonyl)ethanamine;hydrochloride
SMILESCl.NCCS(=O)(=O)C(F)F
InChIInChI=1S/C3H7F2NO2S.ClH/c4-3(5)9(7,8)2-1-6;/h3H,1-2,6H2;1H
InChIKeyICBOOSGIAWZWBL-UHFFFAOYSA-N
XLogP0.00
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.62
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethylsulfonyl)ethanamine;hydrochloride?
The IUPAC name of 2-(difluoromethylsulfonyl)ethanamine;hydrochloride (CID 154832814) is 2-(difluoromethylsulfonyl)ethanamine;hydrochloride.
What is the SMILES notation for 2-(difluoromethylsulfonyl)ethanamine;hydrochloride?
The canonical SMILES for 2-(difluoromethylsulfonyl)ethanamine;hydrochloride is Cl.NCCS(=O)(=O)C(F)F.
What is the InChIKey of 2-(difluoromethylsulfonyl)ethanamine;hydrochloride?
The InChIKey is ICBOOSGIAWZWBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7F2NO2S.ClH/c4-3(5)9(7,8)2-1-6;/h3H,1-2,6H2;1H.
What are the key properties of 2-(difluoromethylsulfonyl)ethanamine;hydrochloride?
2-(difluoromethylsulfonyl)ethanamine;hydrochloride has a molecular weight of 195.62 g/mol, XLogP of 0.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethylsulfonyl)ethanamine;hydrochloride is sourced from PubChem (CID 154832814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).