[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride

C9H15ClF2O4S — CID 82008968

IUPAC[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)F)CCOCC1
InChIInChI=1S/C9H15ClF2O4S/c10-17(13,14)7-9(1-3-15-4-2-9)6-16-5-8(11)12/h8H,1-7H2
InChIKeyCQWVWNZOALTAMI-UHFFFAOYSA-N
MW292.73 g/mol
LogP1.63
Rot. Bonds6

About [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride

[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 82008968) has the molecular formula C9H15ClF2O4S and a molecular weight of 292.73 g/mol. Its IUPAC name is [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID82008968
Molecular FormulaC9H15ClF2O4S
Molecular Weight292.73 g/mol
Exact Mass292.03
IUPAC Name[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)F)CCOCC1
InChIInChI=1S/C9H15ClF2O4S/c10-17(13,14)7-9(1-3-15-4-2-9)6-16-5-8(11)12/h8H,1-7H2
InChIKeyCQWVWNZOALTAMI-UHFFFAOYSA-N
XLogP1.63
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.73
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 82008968) is [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCC(F)F)CCOCC1.
What is the InChIKey of [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is CQWVWNZOALTAMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClF2O4S/c10-17(13,14)7-9(1-3-15-4-2-9)6-16-5-8(11)12/h8H,1-7H2.
What are the key properties of [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 292.73 g/mol, XLogP of 1.63, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2-difluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 82008968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).