2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride

C7H11FO4S — CID 115026740

IUPAC2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
SMILESO=C(CS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C7H11FO4S/c8-13(10,11)5-7(9)6-1-3-12-4-2-6/h6H,1-5H2
InChIKeyVLVCDJKTEOEPAW-UHFFFAOYSA-N
MW210.23 g/mol
LogP0.28
Rot. Bonds3

About 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride

2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride (PubChem CID 115026740) has the molecular formula C7H11FO4S and a molecular weight of 210.23 g/mol. Its IUPAC name is 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
PubChem CID115026740
Molecular FormulaC7H11FO4S
Molecular Weight210.23 g/mol
Exact Mass210.04
IUPAC Name2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
SMILESO=C(CS(=O)(=O)F)C1CCOCC1
InChIInChI=1S/C7H11FO4S/c8-13(10,11)5-7(9)6-1-3-12-4-2-6/h6H,1-5H2
InChIKeyVLVCDJKTEOEPAW-UHFFFAOYSA-N
XLogP0.28
TPSA60.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-1-(oxan-4-yl)ethanone
CID 13197225
2-(oxane-4-carbonylamino)ethanesulfonyl fluoride
CID 154772944
[1-(oxane-4-carbonyl)azetidin-3-yl]methanesulfonyl fluoride
CID 138006201
oxane-4-carbonyl fluoride
CID 142990314
2-(dimethylamino)-1-(oxan-4-yl)ethanone
CID 79077529
1-(oxan-4-yl)pentane-1,4-dione
CID 62387198
3-methyl-1-(oxan-4-yl)butan-1-one
CID 63935044
2-(cyclopropylamino)-1-(oxan-4-yl)ethanone
CID 116555092
3-ethyl-1-(oxan-4-yl)pentan-1-one
CID 82919619
3-methyl-1-(oxan-4-yl)pentan-1-one
CID 65328998
oxane-4-carboxamide
CID 13197203
2-(oxan-4-ylsulfonyl)acetic acid
CID 62995693

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride?
The IUPAC name of 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride (CID 115026740) is 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride.
What is the SMILES notation for 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride?
The canonical SMILES for 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride is O=C(CS(=O)(=O)F)C1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride?
The InChIKey is VLVCDJKTEOEPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO4S/c8-13(10,11)5-7(9)6-1-3-12-4-2-6/h6H,1-5H2.
What are the key properties of 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride?
2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride has a molecular weight of 210.23 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride is sourced from PubChem (CID 115026740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).