(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride

C6H12ClF2NO2S — CID 178190475

IUPAC(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2NO2S.ClH/c1-12(10,11)5(4-9)2-6(7,8)3-5;/h2-4,9H2,1H3;1H
InChIKeyGTXOZYNDFJIUKM-UHFFFAOYSA-N
MW235.68 g/mol
LogP0.58
Rot. Bonds2

About (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride

(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride (PubChem CID 178190475) has the molecular formula C6H12ClF2NO2S and a molecular weight of 235.68 g/mol. Its IUPAC name is (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride.

Molecular Properties

Compound Name(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride
PubChem CID178190475
Molecular FormulaC6H12ClF2NO2S
Molecular Weight235.68 g/mol
Exact Mass235.02
IUPAC Name(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride
SMILESCS(=O)(=O)C1(CN)CC(F)(F)C1.Cl
InChIInChI=1S/C6H11F2NO2S.ClH/c1-12(10,11)5(4-9)2-6(7,8)3-5;/h2-4,9H2,1H3;1H
InChIKeyGTXOZYNDFJIUKM-UHFFFAOYSA-N
XLogP0.58
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.68
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The IUPAC name of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride (CID 178190475) is (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride.
What is the SMILES notation for (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The canonical SMILES for (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride is CS(=O)(=O)C1(CN)CC(F)(F)C1.Cl.
What is the InChIKey of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
The InChIKey is GTXOZYNDFJIUKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S.ClH/c1-12(10,11)5(4-9)2-6(7,8)3-5;/h2-4,9H2,1H3;1H.
What are the key properties of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride?
(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride has a molecular weight of 235.68 g/mol, XLogP of 0.58, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine;hydrochloride is sourced from PubChem (CID 178190475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).