(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride

C6H11FO4S — CID 138987467

IUPAC(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)COCCO1
InChIInChI=1S/C6H11FO4S/c1-6(5-12(7,8)9)4-10-2-3-11-6/h2-5H2,1H3
InChIKeyLXJBTVLXUWHODH-UHFFFAOYSA-N
MW198.21 g/mol
LogP0.09
Rot. Bonds2

About (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride

(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride (PubChem CID 138987467) has the molecular formula C6H11FO4S and a molecular weight of 198.21 g/mol. Its IUPAC name is (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride.

Molecular Properties

Compound Name(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
PubChem CID138987467
Molecular FormulaC6H11FO4S
Molecular Weight198.21 g/mol
Exact Mass198.04
IUPAC Name(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
SMILESCC1(CS(=O)(=O)F)COCCO1
InChIInChI=1S/C6H11FO4S/c1-6(5-12(7,8)9)4-10-2-3-11-6/h2-5H2,1H3
InChIKeyLXJBTVLXUWHODH-UHFFFAOYSA-N
XLogP0.09
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.21
LogP ≤ 50.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-Methyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 137951713
(5,5-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 145874712
(3,3-Dimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 146050056
(2,6,6-Trimethyl-1,4-dioxan-2-yl)methanesulfonyl chloride
CID 155970647
[(2R)-6,6-dimethyl-1,4-dioxan-2-yl]methanesulfonamide
CID 164634173
1-(2-Ethoxypropoxy)ethanesulfonyl fluoride
CID 88593195
2-(Tert-butoxy)ethane-1-sulfonyl fluoride
CID 165460697
3-[2-(Tert-butoxy)ethoxy]propane-1-sulfonyl fluoride
CID 165478665
(6-Ethyl-6-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165509115
[6-(Difluoromethyl)-6-methyl-1,4-dioxan-2-yl]methanesulfonyl chloride
CID 165596418
[6-(Difluoromethyl)-6-methyl-1,4-dioxan-2-yl]methanesulfonyl fluoride
CID 165596425
(2,5,5-Trimethyl-1,4-dioxan-2-yl)methanesulfonyl fluoride
CID 165752622

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride?
The IUPAC name of (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride (CID 138987467) is (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride.
What is the SMILES notation for (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride?
The canonical SMILES for (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride is CC1(CS(=O)(=O)F)COCCO1.
What is the InChIKey of (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride?
The InChIKey is LXJBTVLXUWHODH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11FO4S/c1-6(5-12(7,8)9)4-10-2-3-11-6/h2-5H2,1H3.
What are the key properties of (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride?
(2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride has a molecular weight of 198.21 g/mol, XLogP of 0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,4-dioxan-2-yl)methanesulfonyl fluoride is sourced from PubChem (CID 138987467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).