[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride

C9H14FNO3S — CID 164629973

IUPAC[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C9H14FNO3S/c1-6-2-8(6)9(12)11-3-7(4-11)5-15(10,13)14/h6-8H,2-5H2,1H3
InChIKeyUWQHKTMXPDMWAG-UHFFFAOYSA-N
MW235.28 g/mol
LogP0.40
Rot. Bonds3

About [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride

[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride (PubChem CID 164629973) has the molecular formula C9H14FNO3S and a molecular weight of 235.28 g/mol. Its IUPAC name is [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride.

Molecular Properties

Compound Name[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride
PubChem CID164629973
Molecular FormulaC9H14FNO3S
Molecular Weight235.28 g/mol
Exact Mass235.07
IUPAC Name[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride
SMILESCC1CC1C(=O)N1CC(CS(=O)(=O)F)C1
InChIInChI=1S/C9H14FNO3S/c1-6-2-8(6)9(12)11-3-7(4-11)5-15(10,13)14/h6-8H,2-5H2,1H3
InChIKeyUWQHKTMXPDMWAG-UHFFFAOYSA-N
XLogP0.40
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.28
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The IUPAC name of [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride (CID 164629973) is [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride.
What is the SMILES notation for [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The canonical SMILES for [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride is CC1CC1C(=O)N1CC(CS(=O)(=O)F)C1.
What is the InChIKey of [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride?
The InChIKey is UWQHKTMXPDMWAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FNO3S/c1-6-2-8(6)9(12)11-3-7(4-11)5-15(10,13)14/h6-8H,2-5H2,1H3.
What are the key properties of [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride?
[1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride has a molecular weight of 235.28 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylcyclopropanecarbonyl)azetidin-3-yl]methanesulfonyl fluoride is sourced from PubChem (CID 164629973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).