1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane

C3H2ClF5O3S — CID 55279111

IUPAC1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane
SMILESO=S(=O)(Cl)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2ClF5O3S/c4-13(10,11)12-3(8,9)1-2(5,6)7/h1H2
InChIKeyUTEDEOUOUDDIFL-UHFFFAOYSA-N
MW248.56 g/mol
LogP2.03
Rot. Bonds3

About 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane

1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane (PubChem CID 55279111) has the molecular formula C3H2ClF5O3S and a molecular weight of 248.56 g/mol. Its IUPAC name is 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane.

Molecular Properties

Compound Name1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane
PubChem CID55279111
Molecular FormulaC3H2ClF5O3S
Molecular Weight248.56 g/mol
Exact Mass247.93
IUPAC Name1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane
SMILESO=S(=O)(Cl)OC(F)(F)CC(F)(F)F
InChIInChI=1S/C3H2ClF5O3S/c4-13(10,11)12-3(8,9)1-2(5,6)7/h1H2
InChIKeyUTEDEOUOUDDIFL-UHFFFAOYSA-N
XLogP2.03
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.56
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane?
The IUPAC name of 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane (CID 55279111) is 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane.
What is the SMILES notation for 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane?
The canonical SMILES for 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane is O=S(=O)(Cl)OC(F)(F)CC(F)(F)F.
What is the InChIKey of 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane?
The InChIKey is UTEDEOUOUDDIFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2ClF5O3S/c4-13(10,11)12-3(8,9)1-2(5,6)7/h1H2.
What are the key properties of 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane?
1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane has a molecular weight of 248.56 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorosulfonyloxy-1,1,3,3,3-pentafluoropropane is sourced from PubChem (CID 55279111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).