2-(trifluoromethyl)oxane-4-sulfonyl chloride

C6H8ClF3O3S — CID 130512680

IUPAC2-(trifluoromethyl)oxane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)4-1-2-13-5(3-4)6(8,9)10/h4-5H,1-3H2
InChIKeyYKICDCCDAJBAMS-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.66
Rot. Bonds1

About 2-(trifluoromethyl)oxane-4-sulfonyl chloride

2-(trifluoromethyl)oxane-4-sulfonyl chloride (PubChem CID 130512680) has the molecular formula C6H8ClF3O3S and a molecular weight of 252.64 g/mol. Its IUPAC name is 2-(trifluoromethyl)oxane-4-sulfonyl chloride.

Molecular Properties

Compound Name2-(trifluoromethyl)oxane-4-sulfonyl chloride
PubChem CID130512680
Molecular FormulaC6H8ClF3O3S
Molecular Weight252.64 g/mol
Exact Mass251.98
IUPAC Name2-(trifluoromethyl)oxane-4-sulfonyl chloride
SMILESO=S(=O)(Cl)C1CCOC(C(F)(F)F)C1
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)4-1-2-13-5(3-4)6(8,9)10/h4-5H,1-3H2
InChIKeyYKICDCCDAJBAMS-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.64
LogP ≤ 51.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Oxan-2-yl)methanesulfonyl chloride
CID 21224521
2,2,2-Trifluoro-1-(oxolan-2-yl)ethane-1-sulfonyl chloride
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(6-Methyloxan-2-yl)methanesulfonyl chloride
CID 131420775
(5-(Trifluoromethyl)oxolan-2-yl)methanesulfonyl chloride
CID 132327790
rac-[(2R,6R)-6-methyloxan-2-yl]methanesulfonyl chloride
CID 155973813
1,1,1-Trifluoro-6-hydroxy-3-hexanesulfonic acid sultone
CID 132520127
1,1,1-Trifluoro-6-methoxyhexane-3-sulfonyl chloride
CID 178336670
Cyclohexyl 2,2,2-trifluoroethanesulfonate
CID 89439892
2-Cyclohexyloxy-3,3,3-trifluoropropane-1-sulfonate
CID 140758240
2-(Trifluoromethoxy)cyclohexane-1-sulfinate
CID 147091773
5-(2,2,2-Trifluoroethoxy)pentane-1-sulfonyl chloride
CID 64198633
6-(2,2,2-Trifluoroethoxy)hexane-1-sulfonyl chloride
CID 64198860

Frequently Asked Questions

What is the IUPAC name of 2-(trifluoromethyl)oxane-4-sulfonyl chloride?
The IUPAC name of 2-(trifluoromethyl)oxane-4-sulfonyl chloride (CID 130512680) is 2-(trifluoromethyl)oxane-4-sulfonyl chloride.
What is the SMILES notation for 2-(trifluoromethyl)oxane-4-sulfonyl chloride?
The canonical SMILES for 2-(trifluoromethyl)oxane-4-sulfonyl chloride is O=S(=O)(Cl)C1CCOC(C(F)(F)F)C1.
What is the InChIKey of 2-(trifluoromethyl)oxane-4-sulfonyl chloride?
The InChIKey is YKICDCCDAJBAMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O3S/c7-14(11,12)4-1-2-13-5(3-4)6(8,9)10/h4-5H,1-3H2.
What are the key properties of 2-(trifluoromethyl)oxane-4-sulfonyl chloride?
2-(trifluoromethyl)oxane-4-sulfonyl chloride has a molecular weight of 252.64 g/mol, XLogP of 1.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(trifluoromethyl)oxane-4-sulfonyl chloride is sourced from PubChem (CID 130512680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).