3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride

C7H11ClF2O2S — CID 105492042

IUPAC3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)(F)C1CCC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-4-7(9,10)6-2-1-3-6/h6H,1-5H2
InChIKeyYBUPAUHYUDMBNZ-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.38
Rot. Bonds4

About 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride

3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride (PubChem CID 105492042) has the molecular formula C7H11ClF2O2S and a molecular weight of 232.68 g/mol. Its IUPAC name is 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride.

Molecular Properties

Compound Name3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride
PubChem CID105492042
Molecular FormulaC7H11ClF2O2S
Molecular Weight232.68 g/mol
Exact Mass232.01
IUPAC Name3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)CCC(F)(F)C1CCC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)5-4-7(9,10)6-2-1-3-6/h6H,1-5H2
InChIKeyYBUPAUHYUDMBNZ-UHFFFAOYSA-N
XLogP2.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride?
The IUPAC name of 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride (CID 105492042) is 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride.
What is the SMILES notation for 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride?
The canonical SMILES for 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride is O=S(=O)(Cl)CCC(F)(F)C1CCC1.
What is the InChIKey of 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride?
The InChIKey is YBUPAUHYUDMBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O2S/c8-13(11,12)5-4-7(9,10)6-2-1-3-6/h6H,1-5H2.
What are the key properties of 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride?
3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride has a molecular weight of 232.68 g/mol, XLogP of 2.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-3,3-difluoropropane-1-sulfonyl chloride is sourced from PubChem (CID 105492042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).