[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride

C10H17ClF2O3S — CID 82009444

IUPAC[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)F)CCCCC1
InChIInChI=1S/C10H17ClF2O3S/c11-17(14,15)8-10(4-2-1-3-5-10)7-16-6-9(12)13/h9H,1-8H2
InChIKeyNOPUZDHBGZYCGJ-UHFFFAOYSA-N
MW290.76 g/mol
LogP2.79
Rot. Bonds6

About [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride

[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride (PubChem CID 82009444) has the molecular formula C10H17ClF2O3S and a molecular weight of 290.76 g/mol. Its IUPAC name is [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride.

Molecular Properties

Compound Name[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
PubChem CID82009444
Molecular FormulaC10H17ClF2O3S
Molecular Weight290.76 g/mol
Exact Mass290.06
IUPAC Name[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)F)CCCCC1
InChIInChI=1S/C10H17ClF2O3S/c11-17(14,15)8-10(4-2-1-3-5-10)7-16-6-9(12)13/h9H,1-8H2
InChIKeyNOPUZDHBGZYCGJ-UHFFFAOYSA-N
XLogP2.79
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.76
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The IUPAC name of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride (CID 82009444) is [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride.
What is the SMILES notation for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The canonical SMILES for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCC(F)F)CCCCC1.
What is the InChIKey of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
The InChIKey is NOPUZDHBGZYCGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17ClF2O3S/c11-17(14,15)8-10(4-2-1-3-5-10)7-16-6-9(12)13/h9H,1-8H2.
What are the key properties of [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride?
[1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride has a molecular weight of 290.76 g/mol, XLogP of 2.79, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2,2-difluoroethoxymethyl)cyclohexyl]methanesulfonyl chloride is sourced from PubChem (CID 82009444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).