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

C9H14ClF3O4S — CID 65004826

IUPAC[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H14ClF3O4S/c10-18(14,15)7-8(1-3-16-4-2-8)5-17-6-9(11,12)13/h1-7H2
InChIKeyANWHAGQJZOIFHF-UHFFFAOYSA-N
MW310.72 g/mol
LogP1.93
Rot. Bonds5

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

[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 65004826) has the molecular formula C9H14ClF3O4S and a molecular weight of 310.72 g/mol. Its IUPAC name is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID65004826
Molecular FormulaC9H14ClF3O4S
Molecular Weight310.72 g/mol
Exact Mass310.03
IUPAC Name[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C9H14ClF3O4S/c10-18(14,15)7-8(1-3-16-4-2-8)5-17-6-9(11,12)13/h1-7H2
InChIKeyANWHAGQJZOIFHF-UHFFFAOYSA-N
XLogP1.93
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.72
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride (CID 65004826) is [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is ANWHAGQJZOIFHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClF3O4S/c10-18(14,15)7-8(1-3-16-4-2-8)5-17-6-9(11,12)13/h1-7H2.
What are the key properties of [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 310.72 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 65004826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).