[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride

C7H12ClFO3S — CID 155970587

IUPAC[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CCOCC1
InChIInChI=1S/C7H12ClFO3S/c8-13(10,11)6-7(5-9)1-3-12-4-2-7/h1-6H2
InChIKeyNMPREDPCIJOVLZ-UHFFFAOYSA-N
MW230.69 g/mol
LogP1.32
Rot. Bonds3

About [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride

[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride (PubChem CID 155970587) has the molecular formula C7H12ClFO3S and a molecular weight of 230.69 g/mol. Its IUPAC name is [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride.

Molecular Properties

Compound Name[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride
PubChem CID155970587
Molecular FormulaC7H12ClFO3S
Molecular Weight230.69 g/mol
Exact Mass230.02
IUPAC Name[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride
SMILESO=S(=O)(Cl)CC1(CF)CCOCC1
InChIInChI=1S/C7H12ClFO3S/c8-13(10,11)6-7(5-9)1-3-12-4-2-7/h1-6H2
InChIKeyNMPREDPCIJOVLZ-UHFFFAOYSA-N
XLogP1.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.69
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(Oxan-4-yl)methanesulfonyl chloride
CID 18348392
(Oxan-4-yl)methanesulfonyl fluoride
CID 56828043
[4-(Methoxymethyl)oxan-4-yl]methanesulfonylchloride
CID 65004875
2-(Oxan-4-yl)ethane-1-sulfonyl chloride
CID 86775610
(3-Methyloxan-3-yl)methanesulfonyl chloride
CID 105466432
(4-Fluorooxan-4-yl)methanesulfonyl chloride
CID 119031497
6-Oxaspiro(2.5)octane-1-sulfonyl chloride
CID 132351227
(4-(1,1-Difluoroethyl)oxan-4-yl)methanesulfonyl chloride
CID 132398782
(4-Ethyloxan-4-yl)methanesulfonylchloride
CID 165457985
(4-(Difluoromethyl)oxan-4-yl)methanesulfonyl chloride
CID 165692030
(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 [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride?
The IUPAC name of [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride (CID 155970587) is [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride.
What is the SMILES notation for [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride?
The canonical SMILES for [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride is O=S(=O)(Cl)CC1(CF)CCOCC1.
What is the InChIKey of [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride?
The InChIKey is NMPREDPCIJOVLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12ClFO3S/c8-13(10,11)6-7(5-9)1-3-12-4-2-7/h1-6H2.
What are the key properties of [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride?
[4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride has a molecular weight of 230.69 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(fluoromethyl)oxan-4-yl]methanesulfonyl chloride is sourced from PubChem (CID 155970587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).