2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride

C7H13FO4S — CID 165459370

IUPAC2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
SMILESCOC(CS(=O)(=O)F)C1CCOC1
InChIInChI=1S/C7H13FO4S/c1-11-7(5-13(8,9)10)6-2-3-12-4-6/h6-7H,2-5H2,1H3
InChIKeyOWACMJPRDKVJII-UHFFFAOYSA-N
MW212.24 g/mol
LogP0.34
Rot. Bonds4

About 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride

2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride (PubChem CID 165459370) has the molecular formula C7H13FO4S and a molecular weight of 212.24 g/mol. Its IUPAC name is 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
PubChem CID165459370
Molecular FormulaC7H13FO4S
Molecular Weight212.24 g/mol
Exact Mass212.05
IUPAC Name2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride
SMILESCOC(CS(=O)(=O)F)C1CCOC1
InChIInChI=1S/C7H13FO4S/c1-11-7(5-13(8,9)10)6-2-3-12-4-6/h6-7H,2-5H2,1H3
InChIKeyOWACMJPRDKVJII-UHFFFAOYSA-N
XLogP0.34
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.24
LogP ≤ 50.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-methoxy-3-(oxolan-3-yl)propan-1-amine
CID 115012480
3-(1-methoxy-3-methylpentyl)oxolane
CID 177151433
N-(1,2-benzothiazol-3-yl)-2-methoxy-2-(oxolan-3-yl)ethanesulfonamide
CID 126833927
3-(1-methoxy-2-methylpropyl)oxolane
CID 164918486
(3S)-3-[(1R)-1-methoxyethyl]oxolane
CID 178131318
1-(oxolan-3-yl)ethyl trifluoromethanesulfonate
CID 102621715
1-(oxolan-3-yl)propane-1-sulfonamide
CID 126976073
2-methoxy-2-(oxolan-3-yl)-N-(4-pyrrolidin-1-yl-3-pyridinyl)ethanesulfonamide
CID 131962123
(2R)-2-methoxy-2-[(3S)-oxolan-3-yl]acetaldehyde
CID 125041775
2-(2-methylpropylsulfonyl)-1-(oxolan-3-yl)ethanamine
CID 104753957
3-ethyl-4-[2-methoxy-2-(oxolan-3-yl)ethyl]piperazin-2-one
CID 126819730
(3R)-3-[(1S)-1-fluoropropyl]oxolane
CID 154655865

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride (CID 165459370) is 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride is COC(CS(=O)(=O)F)C1CCOC1.
What is the InChIKey of 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride?
The InChIKey is OWACMJPRDKVJII-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO4S/c1-11-7(5-13(8,9)10)6-2-3-12-4-6/h6-7H,2-5H2,1H3.
What are the key properties of 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride?
2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride has a molecular weight of 212.24 g/mol, XLogP of 0.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-(oxolan-3-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 165459370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).