1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

C6H11F2NO3S — CID 66004826

IUPAC1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)C(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-4-1-5(10)2-4/h4-6,9-10H,1-3H2
InChIKeyOSXOSBQSGSURMK-UHFFFAOYSA-N
MW215.22 g/mol
LogP-0.10
Rot. Bonds4

About 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide

1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (PubChem CID 66004826) has the molecular formula C6H11F2NO3S and a molecular weight of 215.22 g/mol. Its IUPAC name is 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
PubChem CID66004826
Molecular FormulaC6H11F2NO3S
Molecular Weight215.22 g/mol
Exact Mass215.04
IUPAC Name1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide
SMILESO=S(=O)(NCC1CC(O)C1)C(F)F
InChIInChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-4-1-5(10)2-4/h4-6,9-10H,1-3H2
InChIKeyOSXOSBQSGSURMK-UHFFFAOYSA-N
XLogP-0.10
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.22
LogP ≤ 5-0.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The IUPAC name of 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide (CID 66004826) is 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide.
What is the SMILES notation for 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The canonical SMILES for 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide is O=S(=O)(NCC1CC(O)C1)C(F)F.
What is the InChIKey of 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
The InChIKey is OSXOSBQSGSURMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11F2NO3S/c7-6(8)13(11,12)9-3-4-1-5(10)2-4/h4-6,9-10H,1-3H2.
What are the key properties of 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide?
1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide has a molecular weight of 215.22 g/mol, XLogP of -0.10, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-N-[(3-hydroxycyclobutyl)methyl]methanesulfonamide is sourced from PubChem (CID 66004826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).