(4-fluorooxan-4-yl)methanesulfonyl chloride

C6H10ClFO3S — CID 119031497

IUPAC(4-fluorooxan-4-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(F)CCOCC1
InChIInChI=1S/C6H10ClFO3S/c7-12(9,10)5-6(8)1-3-11-4-2-6/h1-5H2
InChIKeyDMZFNYCDNVNASY-UHFFFAOYSA-N
MW216.66 g/mol
LogP1.07
Rot. Bonds2

About (4-fluorooxan-4-yl)methanesulfonyl chloride

(4-fluorooxan-4-yl)methanesulfonyl chloride (PubChem CID 119031497) has the molecular formula C6H10ClFO3S and a molecular weight of 216.66 g/mol. Its IUPAC name is (4-fluorooxan-4-yl)methanesulfonyl chloride.

Molecular Properties

Compound Name(4-fluorooxan-4-yl)methanesulfonyl chloride
PubChem CID119031497
Molecular FormulaC6H10ClFO3S
Molecular Weight216.66 g/mol
Exact Mass216.00
IUPAC Name(4-fluorooxan-4-yl)methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(F)CCOCC1
InChIInChI=1S/C6H10ClFO3S/c7-12(9,10)5-6(8)1-3-11-4-2-6/h1-5H2
InChIKeyDMZFNYCDNVNASY-UHFFFAOYSA-N
XLogP1.07
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.66
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-fluorooxan-4-yl)methanesulfonyl chloride?
The IUPAC name of (4-fluorooxan-4-yl)methanesulfonyl chloride (CID 119031497) is (4-fluorooxan-4-yl)methanesulfonyl chloride.
What is the SMILES notation for (4-fluorooxan-4-yl)methanesulfonyl chloride?
The canonical SMILES for (4-fluorooxan-4-yl)methanesulfonyl chloride is O=S(=O)(Cl)CC1(F)CCOCC1.
What is the InChIKey of (4-fluorooxan-4-yl)methanesulfonyl chloride?
The InChIKey is DMZFNYCDNVNASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10ClFO3S/c7-12(9,10)5-6(8)1-3-11-4-2-6/h1-5H2.
What are the key properties of (4-fluorooxan-4-yl)methanesulfonyl chloride?
(4-fluorooxan-4-yl)methanesulfonyl chloride has a molecular weight of 216.66 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-fluorooxan-4-yl)methanesulfonyl chloride is sourced from PubChem (CID 119031497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).