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

C6H11F2NO2S — CID 178190476

IUPAC(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1(CN)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)5(4-9)2-6(7,8)3-5/h2-4,9H2,1H3
InChIKeyGYZKFHARNYCUKX-UHFFFAOYSA-N
MW199.22 g/mol
LogP0.16
Rot. Bonds2

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

(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine (PubChem CID 178190476) has the molecular formula C6H11F2NO2S and a molecular weight of 199.22 g/mol. Its IUPAC name is (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine.

Molecular Properties

Compound Name(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine
PubChem CID178190476
Molecular FormulaC6H11F2NO2S
Molecular Weight199.22 g/mol
Exact Mass199.05
IUPAC Name(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine
SMILESCS(=O)(=O)C1(CN)CC(F)(F)C1
InChIInChI=1S/C6H11F2NO2S/c1-12(10,11)5(4-9)2-6(7,8)3-5/h2-4,9H2,1H3
InChIKeyGYZKFHARNYCUKX-UHFFFAOYSA-N
XLogP0.16
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.22
LogP ≤ 50.16
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?
The IUPAC name of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine (CID 178190476) is (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine.
What is the SMILES notation for (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine?
The canonical SMILES for (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine is CS(=O)(=O)C1(CN)CC(F)(F)C1.
What is the InChIKey of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine?
The InChIKey is GYZKFHARNYCUKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO2S/c1-12(10,11)5(4-9)2-6(7,8)3-5/h2-4,9H2,1H3.
What are the key properties of (3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine?
(3,3-difluoro-1-methylsulfonylcyclobutyl)methanamine has a molecular weight of 199.22 g/mol, XLogP of 0.16, 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 is sourced from PubChem (CID 178190476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).