3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride

C4H10ClF2NO2S — CID 155821813

IUPAC3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride
SMILESCl.NCCCS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S.ClH/c5-4(6)10(8,9)3-1-2-7;/h4H,1-3,7H2;1H
InChIKeyZIRWEQVKXJAKCU-UHFFFAOYSA-N
MW209.64 g/mol
LogP0.39
Rot. Bonds4

About 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride

3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride (PubChem CID 155821813) has the molecular formula C4H10ClF2NO2S and a molecular weight of 209.64 g/mol. Its IUPAC name is 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride.

Molecular Properties

Compound Name3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride
PubChem CID155821813
Molecular FormulaC4H10ClF2NO2S
Molecular Weight209.64 g/mol
Exact Mass209.01
IUPAC Name3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride
SMILESCl.NCCCS(=O)(=O)C(F)F
InChIInChI=1S/C4H9F2NO2S.ClH/c5-4(6)10(8,9)3-1-2-7;/h4H,1-3,7H2;1H
InChIKeyZIRWEQVKXJAKCU-UHFFFAOYSA-N
XLogP0.39
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.64
LogP ≤ 50.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride?
The IUPAC name of 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride (CID 155821813) is 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride.
What is the SMILES notation for 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride?
The canonical SMILES for 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride is Cl.NCCCS(=O)(=O)C(F)F.
What is the InChIKey of 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride?
The InChIKey is ZIRWEQVKXJAKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F2NO2S.ClH/c5-4(6)10(8,9)3-1-2-7;/h4H,1-3,7H2;1H.
What are the key properties of 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride?
3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride has a molecular weight of 209.64 g/mol, XLogP of 0.39, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethylsulfonyl)propan-1-amine;hydrochloride is sourced from PubChem (CID 155821813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).