ethane;trifluoromethanesulfonyl chloride

C3H6ClF3O2S — CID 91046913

IUPACethane;trifluoromethanesulfonyl chloride
SMILESCC.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C2H6.CClF3O2S/c1-2;2-8(6,7)1(3,4)5/h1-2H3;
InChIKeyZKCPBXHWMNQDEE-UHFFFAOYSA-N
MW198.59 g/mol
LogP2.10
Rot. Bonds

About ethane;trifluoromethanesulfonyl chloride

ethane;trifluoromethanesulfonyl chloride (PubChem CID 91046913) has the molecular formula C3H6ClF3O2S and a molecular weight of 198.59 g/mol. Its IUPAC name is ethane;trifluoromethanesulfonyl chloride.

Molecular Properties

Compound Nameethane;trifluoromethanesulfonyl chloride
PubChem CID91046913
Molecular FormulaC3H6ClF3O2S
Molecular Weight198.59 g/mol
Exact Mass197.97
IUPAC Nameethane;trifluoromethanesulfonyl chloride
SMILESCC.O=S(=O)(Cl)C(F)(F)F
InChIInChI=1S/C2H6.CClF3O2S/c1-2;2-8(6,7)1(3,4)5/h1-2H3;
InChIKeyZKCPBXHWMNQDEE-UHFFFAOYSA-N
XLogP2.10
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.59
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;trifluoromethanesulfonyl chloride?
The IUPAC name of ethane;trifluoromethanesulfonyl chloride (CID 91046913) is ethane;trifluoromethanesulfonyl chloride.
What is the SMILES notation for ethane;trifluoromethanesulfonyl chloride?
The canonical SMILES for ethane;trifluoromethanesulfonyl chloride is CC.O=S(=O)(Cl)C(F)(F)F.
What is the InChIKey of ethane;trifluoromethanesulfonyl chloride?
The InChIKey is ZKCPBXHWMNQDEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6.CClF3O2S/c1-2;2-8(6,7)1(3,4)5/h1-2H3;.
What are the key properties of ethane;trifluoromethanesulfonyl chloride?
ethane;trifluoromethanesulfonyl chloride has a molecular weight of 198.59 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;trifluoromethanesulfonyl chloride is sourced from PubChem (CID 91046913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).