2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride

C6H8ClF3O3S — CID 75480360

IUPAC2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)5(6(8,9)10)4-2-1-3-13-4/h4-5H,1-3H2
InChIKeyKVBSRDYMQZMLNC-UHFFFAOYSA-N
MW252.64 g/mol
LogP1.66
Rot. Bonds2

About 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride

2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride (PubChem CID 75480360) has the molecular formula C6H8ClF3O3S and a molecular weight of 252.64 g/mol. Its IUPAC name is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride
PubChem CID75480360
Molecular FormulaC6H8ClF3O3S
Molecular Weight252.64 g/mol
Exact Mass251.98
IUPAC Name2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride
SMILESO=S(=O)(Cl)C(C1CCCO1)C(F)(F)F
InChIInChI=1S/C6H8ClF3O3S/c7-14(11,12)5(6(8,9)10)4-2-1-3-13-4/h4-5H,1-3H2
InChIKeyKVBSRDYMQZMLNC-UHFFFAOYSA-N
XLogP1.66
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
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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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride?
The IUPAC name of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride (CID 75480360) is 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride.
What is the SMILES notation for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride?
The canonical SMILES for 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride is O=S(=O)(Cl)C(C1CCCO1)C(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride?
The InChIKey is KVBSRDYMQZMLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8ClF3O3S/c7-14(11,12)5(6(8,9)10)4-2-1-3-13-4/h4-5H,1-3H2.
What are the key properties of 2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride?
2,2,2-trifluoro-1-(oxolan-2-yl)ethanesulfonyl chloride has a molecular weight of 252.64 g/mol, XLogP of 1.66, 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-(oxolan-2-yl)ethanesulfonyl chloride is sourced from PubChem (CID 75480360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).