1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride

C8H12FNO3S — CID 138006198

IUPAC1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride
SMILESCC1CC1C(=O)N1CC(S(=O)(=O)F)C1
InChIInChI=1S/C8H12FNO3S/c1-5-2-7(5)8(11)10-3-6(4-10)14(9,12)13/h5-7H,2-4H2,1H3
InChIKeyZEHHWCCTXNJFRX-UHFFFAOYSA-N
MW221.25 g/mol
LogP0.15
Rot. Bonds2

About 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride

1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride (PubChem CID 138006198) has the molecular formula C8H12FNO3S and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride.

Molecular Properties

Compound Name1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride
PubChem CID138006198
Molecular FormulaC8H12FNO3S
Molecular Weight221.25 g/mol
Exact Mass221.05
IUPAC Name1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride
SMILESCC1CC1C(=O)N1CC(S(=O)(=O)F)C1
InChIInChI=1S/C8H12FNO3S/c1-5-2-7(5)8(11)10-3-6(4-10)14(9,12)13/h5-7H,2-4H2,1H3
InChIKeyZEHHWCCTXNJFRX-UHFFFAOYSA-N
XLogP0.15
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 50.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride?
The IUPAC name of 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride (CID 138006198) is 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride.
What is the SMILES notation for 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride?
The canonical SMILES for 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride is CC1CC1C(=O)N1CC(S(=O)(=O)F)C1.
What is the InChIKey of 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride?
The InChIKey is ZEHHWCCTXNJFRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12FNO3S/c1-5-2-7(5)8(11)10-3-6(4-10)14(9,12)13/h5-7H,2-4H2,1H3.
What are the key properties of 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride?
1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride has a molecular weight of 221.25 g/mol, XLogP of 0.15, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylcyclopropanecarbonyl)azetidine-3-sulfonyl fluoride is sourced from PubChem (CID 138006198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).