1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride

C6H9ClF2O2S — CID 165495065

IUPAC1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(F)(F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClF2O2S/c1-5(8,9)4-6(2-3-6)12(7,10)11/h2-4H2,1H3
InChIKeyXAQJEJFSTXNTPN-UHFFFAOYSA-N
MW218.65 g/mol
LogP2.13
Rot. Bonds3

About 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride

1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride (PubChem CID 165495065) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride.

Molecular Properties

Compound Name1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride
PubChem CID165495065
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride
SMILESCC(F)(F)CC1(S(=O)(=O)Cl)CC1
InChIInChI=1S/C6H9ClF2O2S/c1-5(8,9)4-6(2-3-6)12(7,10)11/h2-4H2,1H3
InChIKeyXAQJEJFSTXNTPN-UHFFFAOYSA-N
XLogP2.13
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride?
The IUPAC name of 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride (CID 165495065) is 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride.
What is the SMILES notation for 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride?
The canonical SMILES for 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride is CC(F)(F)CC1(S(=O)(=O)Cl)CC1.
What is the InChIKey of 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride?
The InChIKey is XAQJEJFSTXNTPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c1-5(8,9)4-6(2-3-6)12(7,10)11/h2-4H2,1H3.
What are the key properties of 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride?
1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoropropyl)cyclopropane-1-sulfonyl chloride is sourced from PubChem (CID 165495065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).