1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride

C7H11ClF2O2S — CID 165489935

IUPAC1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCCC(F)F)CC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)7(4-5-7)3-1-2-6(9)10/h6H,1-5H2
InChIKeyDNJGKWNBZDQDMK-UHFFFAOYSA-N
MW232.68 g/mol
LogP2.52
Rot. Bonds5

About 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride

1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165489935) has the molecular formula C7H11ClF2O2S and a molecular weight of 232.68 g/mol. Its IUPAC name is 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride
PubChem CID165489935
Molecular FormulaC7H11ClF2O2S
Molecular Weight232.68 g/mol
Exact Mass232.01
IUPAC Name1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride
SMILESO=S(=O)(Cl)C1(CCCC(F)F)CC1
InChIInChI=1S/C7H11ClF2O2S/c8-13(11,12)7(4-5-7)3-1-2-6(9)10/h6H,1-5H2
InChIKeyDNJGKWNBZDQDMK-UHFFFAOYSA-N
XLogP2.52
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.68
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride (CID 165489935) is 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride is O=S(=O)(Cl)C1(CCCC(F)F)CC1.
What is the InChIKey of 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is DNJGKWNBZDQDMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11ClF2O2S/c8-13(11,12)7(4-5-7)3-1-2-6(9)10/h6H,1-5H2.
What are the key properties of 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride?
1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 232.68 g/mol, XLogP of 2.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,4-difluorobutyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165489935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).