2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride

C7H10ClF3O3S — CID 114827559

IUPAC2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H10ClF3O3S/c8-15(12,13)6(7(9,10)11)5-1-3-14-4-2-5/h5-6H,1-4H2
InChIKeyVYMRYJIQOXUXKM-UHFFFAOYSA-N
MW266.67 g/mol
LogP1.91
Rot. Bonds2

About 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride (PubChem CID 114827559) has the molecular formula C7H10ClF3O3S and a molecular weight of 266.67 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride
PubChem CID114827559
Molecular FormulaC7H10ClF3O3S
Molecular Weight266.67 g/mol
Exact Mass266.00
IUPAC Name2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCOCC1)C(F)(F)F
InChIInChI=1S/C7H10ClF3O3S/c8-15(12,13)6(7(9,10)11)5-1-3-14-4-2-5/h5-6H,1-4H2
InChIKeyVYMRYJIQOXUXKM-UHFFFAOYSA-N
XLogP1.91
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.67
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride (CID 114827559) is 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride is O=S(=O)(Cl)C(C1CCOCC1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride?
The InChIKey is VYMRYJIQOXUXKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10ClF3O3S/c8-15(12,13)6(7(9,10)11)5-1-3-14-4-2-5/h5-6H,1-4H2.
What are the key properties of 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride has a molecular weight of 266.67 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-1-(oxan-4-yl)ethanesulfonyl chloride is sourced from PubChem (CID 114827559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).