1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride

C7H12ClFO2S — CID 165495108

IUPAC1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H12ClFO2S/c1-6(2,9)5-7(3-4-7)12(8,10)11/h3-5H2,1-2H3
InChIKeyAXUSKGIJEQKSOU-UHFFFAOYSA-N
MW214.69 g/mol
LogP2.23
Rot. Bonds3

About 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride

1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165495108) has the molecular formula C7H12ClFO2S and a molecular weight of 214.69 g/mol. Its IUPAC name is 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
PubChem CID165495108
Molecular FormulaC7H12ClFO2S
Molecular Weight214.69 g/mol
Exact Mass214.02
IUPAC Name1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(C)(F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C7H12ClFO2S/c1-6(2,9)5-7(3-4-7)12(8,10)11/h3-5H2,1-2H3
InChIKeyAXUSKGIJEQKSOU-UHFFFAOYSA-N
XLogP2.23
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.69
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride (CID 165495108) is 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride is CC(C)(F)CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is AXUSKGIJEQKSOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO2S/c1-6(2,9)5-7(3-4-7)12(8,10)11/h3-5H2,1-2H3.
What are the key properties of 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride?
1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 214.69 g/mol, XLogP of 2.23, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-2-methylpropyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).