2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride

C8H15ClF2O3S — CID 82010397

IUPAC2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCC(F)F)CS(=O)(=O)Cl
InChIInChI=1S/C8H15ClF2O3S/c1-2-3-7(6-15(9,12)13)4-14-5-8(10)11/h7-8H,2-6H2,1H3
InChIKeyUWACZLVOFWYXJU-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.25
Rot. Bonds8

About 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride

2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride (PubChem CID 82010397) has the molecular formula C8H15ClF2O3S and a molecular weight of 264.72 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride.

Molecular Properties

Compound Name2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride
PubChem CID82010397
Molecular FormulaC8H15ClF2O3S
Molecular Weight264.72 g/mol
Exact Mass264.04
IUPAC Name2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride
SMILESCCCC(COCC(F)F)CS(=O)(=O)Cl
InChIInChI=1S/C8H15ClF2O3S/c1-2-3-7(6-15(9,12)13)4-14-5-8(10)11/h7-8H,2-6H2,1H3
InChIKeyUWACZLVOFWYXJU-UHFFFAOYSA-N
XLogP2.25
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride?
The IUPAC name of 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride (CID 82010397) is 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride.
What is the SMILES notation for 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride?
The canonical SMILES for 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride is CCCC(COCC(F)F)CS(=O)(=O)Cl.
What is the InChIKey of 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride?
The InChIKey is UWACZLVOFWYXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15ClF2O3S/c1-2-3-7(6-15(9,12)13)4-14-5-8(10)11/h7-8H,2-6H2,1H3.
What are the key properties of 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride?
2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride has a molecular weight of 264.72 g/mol, XLogP of 2.25, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxymethyl)pentane-1-sulfonyl chloride is sourced from PubChem (CID 82010397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).