[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride

C7H8ClF3O3S — CID 154789946

IUPAC[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C(F)(F)F)(CO1)C2
InChIInChI=1S/C7H8ClF3O3S/c8-15(12,13)4-6-1-5(2-6,3-14-6)7(9,10)11/h1-4H2
InChIKeyVSWXLXABENLFFW-UHFFFAOYSA-N
MW264.65 g/mol
LogP1.67
Rot. Bonds2

About [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride

[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride (PubChem CID 154789946) has the molecular formula C7H8ClF3O3S and a molecular weight of 264.65 g/mol. Its IUPAC name is [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
PubChem CID154789946
Molecular FormulaC7H8ClF3O3S
Molecular Weight264.65 g/mol
Exact Mass263.98
IUPAC Name[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C(F)(F)F)(CO1)C2
InChIInChI=1S/C7H8ClF3O3S/c8-15(12,13)4-6-1-5(2-6,3-14-6)7(9,10)11/h1-4H2
InChIKeyVSWXLXABENLFFW-UHFFFAOYSA-N
XLogP1.67
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.65
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl chloride
CID 154577105
[4-(Difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
CID 155970358
2-Oxabicyclo(2.1.1)hexane-1-methanesulfonyl chloride
CID 125449532
(4-Methyl-2-oxabicyclo[2.1.1]hexan-1-yl)methanesulfonyl chloride
CID 138039662
{4-Methyl-2-oxabicyclo[2.1.1]hexan-1-yl}methanesulfonyl fluoride
CID 165608550
[4-(Trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonamide
CID 165887199
[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonamide
CID 165890216
[1-(Fluoromethyl)-2-oxabicyclo[2.1.1]hexan-4-yl]methanesulfonyl fluoride
CID 165898940
[4-(Trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl fluoride
CID 165899625
{2-Oxabicyclo[2.1.1]hexan-4-yl}methanesulfonyl fluoride
CID 165922523
[4-(Difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonamide
CID 165942454
[4-(Difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl fluoride
CID 165996444

Frequently Asked Questions

What is the IUPAC name of [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The IUPAC name of [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride (CID 154789946) is [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC12CC(C(F)(F)F)(CO1)C2.
What is the InChIKey of [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The InChIKey is VSWXLXABENLFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClF3O3S/c8-15(12,13)4-6-1-5(2-6,3-14-6)7(9,10)11/h1-4H2.
What are the key properties of [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
[4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride has a molecular weight of 264.65 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride is sourced from PubChem (CID 154789946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).