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

C7H9ClF2O3S — CID 155970358

IUPAC[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C(F)F)(CO1)C2
InChIInChI=1S/C7H9ClF2O3S/c8-14(11,12)4-7-1-6(2-7,3-13-7)5(9)10/h5H,1-4H2
InChIKeyCAABBYAKGKBZGJ-UHFFFAOYSA-N
MW246.66 g/mol
LogP1.37
Rot. Bonds3

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

[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride (PubChem CID 155970358) has the molecular formula C7H9ClF2O3S and a molecular weight of 246.66 g/mol. Its IUPAC name is [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
PubChem CID155970358
Molecular FormulaC7H9ClF2O3S
Molecular Weight246.66 g/mol
Exact Mass245.99
IUPAC Name[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC12CC(C(F)F)(CO1)C2
InChIInChI=1S/C7H9ClF2O3S/c8-14(11,12)4-7-1-6(2-7,3-13-7)5(9)10/h5H,1-4H2
InChIKeyCAABBYAKGKBZGJ-UHFFFAOYSA-N
XLogP1.37
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.66
LogP ≤ 51.37
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
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-(Trifluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride
CID 154789946
{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-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The IUPAC name of [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride (CID 155970358) is [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC12CC(C(F)F)(CO1)C2.
What is the InChIKey of [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
The InChIKey is CAABBYAKGKBZGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClF2O3S/c8-14(11,12)4-7-1-6(2-7,3-13-7)5(9)10/h5H,1-4H2.
What are the key properties of [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride?
[4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride has a molecular weight of 246.66 g/mol, XLogP of 1.37, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(difluoromethyl)-2-oxabicyclo[2.1.1]hexan-1-yl]methanesulfonyl chloride is sourced from PubChem (CID 155970358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).