2-(oxan-4-yl)ethanesulfonyl fluoride

C7H13FO3S — CID 154879019

IUPAC2-(oxan-4-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CCOCC1
InChIInChI=1S/C7H13FO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyMDHGECIGMOWUKB-UHFFFAOYSA-N
MW196.24 g/mol
LogP1.10
Rot. Bonds3

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

2-(oxan-4-yl)ethanesulfonyl fluoride (PubChem CID 154879019) has the molecular formula C7H13FO3S and a molecular weight of 196.24 g/mol. Its IUPAC name is 2-(oxan-4-yl)ethanesulfonyl fluoride.

Molecular Properties

Compound Name2-(oxan-4-yl)ethanesulfonyl fluoride
PubChem CID154879019
Molecular FormulaC7H13FO3S
Molecular Weight196.24 g/mol
Exact Mass196.06
IUPAC Name2-(oxan-4-yl)ethanesulfonyl fluoride
SMILESO=S(=O)(F)CCC1CCOCC1
InChIInChI=1S/C7H13FO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2
InChIKeyMDHGECIGMOWUKB-UHFFFAOYSA-N
XLogP1.10
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.24
LogP ≤ 51.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Oxan-4-yl)methanesulfonamide
CID 18348472
(Oxan-4-yl)methanesulfonyl chloride
CID 18348392
Oxane-4-sulfonyl fluoride
CID 54594802
Oxan-3-ylmethanesulfonyl chloride
CID 54595496
(Oxan-4-yl)methanesulfonyl fluoride
CID 56828043
2-(Oxan-4-yl)ethane-1-sulfonamide
CID 71649239
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
(4-Fluorooxan-4-yl)methanesulfonyl chloride
CID 119031497
2-(Oxan-3-yl)ethane-1-sulfonyl chloride
CID 130757865
(4-(Fluoromethyl)oxan-4-yl)methanesulfonyl chloride
CID 155970587
(3-Fluorooxan-3-yl)methanesulfonyl chloride
CID 137935998
Methyl (4-fluorooxan-4-yl)methanesulfonate
CID 156133775

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-yl)ethanesulfonyl fluoride?
The IUPAC name of 2-(oxan-4-yl)ethanesulfonyl fluoride (CID 154879019) is 2-(oxan-4-yl)ethanesulfonyl fluoride.
What is the SMILES notation for 2-(oxan-4-yl)ethanesulfonyl fluoride?
The canonical SMILES for 2-(oxan-4-yl)ethanesulfonyl fluoride is O=S(=O)(F)CCC1CCOCC1.
What is the InChIKey of 2-(oxan-4-yl)ethanesulfonyl fluoride?
The InChIKey is MDHGECIGMOWUKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO3S/c8-12(9,10)6-3-7-1-4-11-5-2-7/h7H,1-6H2.
What are the key properties of 2-(oxan-4-yl)ethanesulfonyl fluoride?
2-(oxan-4-yl)ethanesulfonyl fluoride has a molecular weight of 196.24 g/mol, XLogP of 1.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-yl)ethanesulfonyl fluoride is sourced from PubChem (CID 154879019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).