(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride

C6H9ClF2O2S — CID 122163963

IUPAC(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride
SMILESCC1(C)C(CS(=O)(=O)Cl)C1(F)F
InChIInChI=1S/C6H9ClF2O2S/c1-5(2)4(6(5,8)9)3-12(7,10)11/h4H,3H2,1-2H3
InChIKeyOEKZGHHCXOPBIY-UHFFFAOYSA-N
MW218.65 g/mol
LogP1.85
Rot. Bonds2

About (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride

(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride (PubChem CID 122163963) has the molecular formula C6H9ClF2O2S and a molecular weight of 218.65 g/mol. Its IUPAC name is (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride.

Molecular Properties

Compound Name(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride
PubChem CID122163963
Molecular FormulaC6H9ClF2O2S
Molecular Weight218.65 g/mol
Exact Mass218.00
IUPAC Name(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride
SMILESCC1(C)C(CS(=O)(=O)Cl)C1(F)F
InChIInChI=1S/C6H9ClF2O2S/c1-5(2)4(6(5,8)9)3-12(7,10)11/h4H,3H2,1-2H3
InChIKeyOEKZGHHCXOPBIY-UHFFFAOYSA-N
XLogP1.85
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.65
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride?
The IUPAC name of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride (CID 122163963) is (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride.
What is the SMILES notation for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride?
The canonical SMILES for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride is CC1(C)C(CS(=O)(=O)Cl)C1(F)F.
What is the InChIKey of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride?
The InChIKey is OEKZGHHCXOPBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9ClF2O2S/c1-5(2)4(6(5,8)9)3-12(7,10)11/h4H,3H2,1-2H3.
What are the key properties of (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride?
(2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride has a molecular weight of 218.65 g/mol, XLogP of 1.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3,3-dimethylcyclopropyl)methanesulfonyl chloride is sourced from PubChem (CID 122163963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).