N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

C6H10ClF2NO2S — CID 66005249

IUPACN-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)C(F)F
InChIInChI=1S/C6H10ClF2NO2S/c7-5-1-4(2-5)3-10-13(11,12)6(8)9/h4-6,10H,1-3H2
InChIKeyQTICARGKDUIPFI-UHFFFAOYSA-N
MW233.67 g/mol
LogP1.15
Rot. Bonds4

About N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide

N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (PubChem CID 66005249) has the molecular formula C6H10ClF2NO2S and a molecular weight of 233.67 g/mol. Its IUPAC name is N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.

Molecular Properties

Compound NameN-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
PubChem CID66005249
Molecular FormulaC6H10ClF2NO2S
Molecular Weight233.67 g/mol
Exact Mass233.01
IUPAC NameN-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide
SMILESO=S(=O)(NCC1CC(Cl)C1)C(F)F
InChIInChI=1S/C6H10ClF2NO2S/c7-5-1-4(2-5)3-10-13(11,12)6(8)9/h4-6,10H,1-3H2
InChIKeyQTICARGKDUIPFI-UHFFFAOYSA-N
XLogP1.15
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.67
LogP ≤ 51.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The IUPAC name of N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide (CID 66005249) is N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide.
What is the SMILES notation for N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The canonical SMILES for N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is O=S(=O)(NCC1CC(Cl)C1)C(F)F.
What is the InChIKey of N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
The InChIKey is QTICARGKDUIPFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClF2NO2S/c7-5-1-4(2-5)3-10-13(11,12)6(8)9/h4-6,10H,1-3H2.
What are the key properties of N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide?
N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide has a molecular weight of 233.67 g/mol, XLogP of 1.15, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclobutyl)methyl]-1,1-difluoromethanesulfonamide is sourced from PubChem (CID 66005249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).