fluoro cyclopropyl(difluoro)methanesulfonate

C4H5F3O3S — CID 161043921

IUPACfluoro cyclopropyl(difluoro)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)C1CC1
InChIInChI=1S/C4H5F3O3S/c5-4(6,3-1-2-3)11(8,9)10-7/h3H,1-2H2
InChIKeyUBGASFQWPXWFOQ-UHFFFAOYSA-N
MW190.14 g/mol
LogP1.22
Rot. Bonds3

About fluoro cyclopropyl(difluoro)methanesulfonate

fluoro cyclopropyl(difluoro)methanesulfonate (PubChem CID 161043921) has the molecular formula C4H5F3O3S and a molecular weight of 190.14 g/mol. Its IUPAC name is fluoro cyclopropyl(difluoro)methanesulfonate.

Molecular Properties

Compound Namefluoro cyclopropyl(difluoro)methanesulfonate
PubChem CID161043921
Molecular FormulaC4H5F3O3S
Molecular Weight190.14 g/mol
Exact Mass189.99
IUPAC Namefluoro cyclopropyl(difluoro)methanesulfonate
SMILESO=S(=O)(OF)C(F)(F)C1CC1
InChIInChI=1S/C4H5F3O3S/c5-4(6,3-1-2-3)11(8,9)10-7/h3H,1-2H2
InChIKeyUBGASFQWPXWFOQ-UHFFFAOYSA-N
XLogP1.22
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.14
LogP ≤ 51.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,2-Difluorocyclopropyl)methanesulfonyl chloride
CID 55279478
1-(Difluoromethyl)cyclopropanesulfonamide
CID 68182898
1-(Difluoromethyl)cyclopropane-1-sulfonyl chloride
CID 131316551
Sodium 1-(trifluoromethyl)cyclopropanesulfinate
CID 102338379
1-(Trifluoromethyl)cyclopropane-1-sulfonamide
CID 68956170
1-(Trifluoromethyl)cyclopropane-1-sulfinate
CID 118236232
2,2-Difluoro-1-methylcyclopropane-1-sulfinate
CID 118236283
(2,2-Difluorocyclopropyl)methanesulfinate
CID 140533695
1,1,3,3,3-Pentafluoro-2-methylpropane-1-sulfonate
CID 178525136
1-(Trifluoromethyl)cyclopropane-1-sulfinic acid
CID 99938465
1-(2,2-Difluoroethyl)cyclopropane-1-sulfonyl chloride
CID 165496288
(2,2-Difluorocyclopropyl)methanesulfonyl fluoride
CID 165686056

Frequently Asked Questions

What is the IUPAC name of fluoro cyclopropyl(difluoro)methanesulfonate?
The IUPAC name of fluoro cyclopropyl(difluoro)methanesulfonate (CID 161043921) is fluoro cyclopropyl(difluoro)methanesulfonate.
What is the SMILES notation for fluoro cyclopropyl(difluoro)methanesulfonate?
The canonical SMILES for fluoro cyclopropyl(difluoro)methanesulfonate is O=S(=O)(OF)C(F)(F)C1CC1.
What is the InChIKey of fluoro cyclopropyl(difluoro)methanesulfonate?
The InChIKey is UBGASFQWPXWFOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5F3O3S/c5-4(6,3-1-2-3)11(8,9)10-7/h3H,1-2H2.
What are the key properties of fluoro cyclopropyl(difluoro)methanesulfonate?
fluoro cyclopropyl(difluoro)methanesulfonate has a molecular weight of 190.14 g/mol, XLogP of 1.22, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro cyclopropyl(difluoro)methanesulfonate is sourced from PubChem (CID 161043921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).