3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride

C6H9FO3S — CID 165489849

IUPAC3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride
SMILESO=C(CC1CC1)CS(=O)(=O)F
InChIInChI=1S/C6H9FO3S/c7-11(9,10)4-6(8)3-5-1-2-5/h5H,1-4H2
InChIKeyASYDMZDHRSBYJN-UHFFFAOYSA-N
MW180.20 g/mol
LogP0.65
Rot. Bonds4

About 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride

3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride (PubChem CID 165489849) has the molecular formula C6H9FO3S and a molecular weight of 180.20 g/mol. Its IUPAC name is 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride
PubChem CID165489849
Molecular FormulaC6H9FO3S
Molecular Weight180.20 g/mol
Exact Mass180.03
IUPAC Name3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride
SMILESO=C(CC1CC1)CS(=O)(=O)F
InChIInChI=1S/C6H9FO3S/c7-11(9,10)4-6(8)3-5-1-2-5/h5H,1-4H2
InChIKeyASYDMZDHRSBYJN-UHFFFAOYSA-N
XLogP0.65
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.20
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-cyclohexyl-3-methylsulfonylpropan-2-one
CID 115601525
4-cyclopropyl-3-oxobutanoic acid
CID 90972731
1-cyclopropyl-3-(thian-4-yl)propan-2-one
CID 83137106
1-cyclopropyl-4,4-dimethylpentan-2-one
CID 58286843
2-(oxan-4-yl)-2-oxoethanesulfonyl fluoride
CID 115026740
ethane;1-(4-ethylcyclohexyl)butan-2-one
CID 154679041
3-cyclopropyl-1,1-difluoropropan-2-one
CID 112699143
1-cyclopentyl-3-(cyclopropylmethylamino)propan-2-one
CID 116557677
1-cyclopropyl-4-(methylamino)butan-2-one
CID 116561221
cobalt(2+);bis(2-cyclopropylacetate)
CID 90200076
(3-cyclopropyl-2-oxopropyl)-ethoxyphosphinic acid
CID 87598523
1-cyclopropyl-5-methoxypentan-2-one
CID 65094605

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride?
The IUPAC name of 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride (CID 165489849) is 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride.
What is the SMILES notation for 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride?
The canonical SMILES for 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride is O=C(CC1CC1)CS(=O)(=O)F.
What is the InChIKey of 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride?
The InChIKey is ASYDMZDHRSBYJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3S/c7-11(9,10)4-6(8)3-5-1-2-5/h5H,1-4H2.
What are the key properties of 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride?
3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride has a molecular weight of 180.20 g/mol, XLogP of 0.65, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-2-oxopropane-1-sulfonyl fluoride is sourced from PubChem (CID 165489849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).