fluoro propane-2-sulfonate

C3H7FO3S — CID 140545369

IUPACfluoro propane-2-sulfonate
SMILESCC(C)S(=O)(=O)OF
InChIInChI=1S/C3H7FO3S/c1-3(2)8(5,6)7-4/h3H,1-2H3
InChIKeyXOKCSHOROKPAHT-UHFFFAOYSA-N
MW142.15 g/mol
LogP0.63
Rot. Bonds2

About fluoro propane-2-sulfonate

fluoro propane-2-sulfonate (PubChem CID 140545369) has the molecular formula C3H7FO3S and a molecular weight of 142.15 g/mol. Its IUPAC name is fluoro propane-2-sulfonate.

Molecular Properties

Compound Namefluoro propane-2-sulfonate
PubChem CID140545369
Molecular FormulaC3H7FO3S
Molecular Weight142.15 g/mol
Exact Mass142.01
IUPAC Namefluoro propane-2-sulfonate
SMILESCC(C)S(=O)(=O)OF
InChIInChI=1S/C3H7FO3S/c1-3(2)8(5,6)7-4/h3H,1-2H3
InChIKeyXOKCSHOROKPAHT-UHFFFAOYSA-N
XLogP0.63
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.15
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

cerium;fluoro difluoromethanesulfonate
CID 175560297
bis(propan-2-ylsulfonyloxy)lead
CID 139756821
magnesium;fluoro difluoromethanesulfonate;hydride
CID 173351279
4-propan-2-ylsulfonyloxypentan-2-yl propane-2-sulfonate
CID 89439688
ethyl(trimethyl)azanium;fluoro difluoromethanesulfonate
CID 87457651
sodium propane-2-sulfonic acid
CID 23363435
propyl propane-2-sulfonate
CID 19702370
2-methylsulfonylpropane
CID 163990602
lithium fluorosulfonyl hypofluorite
CID 22638452
[ethenyl(methyl)silyl]methyl propane-2-sulfonate
CID 165062305
sodium;2-fluoro-2-fluorooxysulfonylacetic acid;hydride
CID 175414468
CID 173214126
CID 173214126

Frequently Asked Questions

What is the IUPAC name of fluoro propane-2-sulfonate?
The IUPAC name of fluoro propane-2-sulfonate (CID 140545369) is fluoro propane-2-sulfonate.
What is the SMILES notation for fluoro propane-2-sulfonate?
The canonical SMILES for fluoro propane-2-sulfonate is CC(C)S(=O)(=O)OF.
What is the InChIKey of fluoro propane-2-sulfonate?
The InChIKey is XOKCSHOROKPAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H7FO3S/c1-3(2)8(5,6)7-4/h3H,1-2H3.
What are the key properties of fluoro propane-2-sulfonate?
fluoro propane-2-sulfonate has a molecular weight of 142.15 g/mol, XLogP of 0.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro propane-2-sulfonate is sourced from PubChem (CID 140545369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).