1-methylcyclopropane-1-sulfonyl fluoride

C4H7FO2S — CID 162341526

IUPAC1-methylcyclopropane-1-sulfonyl fluoride
SMILESCC1(S(=O)(=O)F)CC1
InChIInChI=1S/C4H7FO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3
InChIKeyPLGJSBPWEHPEHK-UHFFFAOYSA-N
MW138.16 g/mol
LogP0.84
Rot. Bonds1

About 1-methylcyclopropane-1-sulfonyl fluoride

1-methylcyclopropane-1-sulfonyl fluoride (PubChem CID 162341526) has the molecular formula C4H7FO2S and a molecular weight of 138.16 g/mol. Its IUPAC name is 1-methylcyclopropane-1-sulfonyl fluoride.

Molecular Properties

Compound Name1-methylcyclopropane-1-sulfonyl fluoride
PubChem CID162341526
Molecular FormulaC4H7FO2S
Molecular Weight138.16 g/mol
Exact Mass138.02
IUPAC Name1-methylcyclopropane-1-sulfonyl fluoride
SMILESCC1(S(=O)(=O)F)CC1
InChIInChI=1S/C4H7FO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3
InChIKeyPLGJSBPWEHPEHK-UHFFFAOYSA-N
XLogP0.84
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.16
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

CID 87100695
CID 87100695
1-fluorosulfonyloxy-1-methylcyclopropane
CID 167159629
N-(3-amino-2-fluorophenyl)-1-methylcyclopropane-1-sulfonamide
CID 175844272
benzene;methanesulfonyl fluoride
CID 157433018
3-(1-tert-butylcyclopropyl)sulfonyl-3-methyloxetane
CID 160885022
N-[(1R,3S)-3-fluorocyclopentyl]-1-methylcyclopropane-1-sulfonamide
CID 129348521
N-(2-bromophenyl)-1-methylcyclopropane-1-sulfonamide
CID 129188563
N-cyclohexyl-1-methylcyclopropane-1-sulfonamide
CID 128542205
(2,2-difluoro-1-methylcyclopropyl)methanesulfonyl fluoride
CID 165459368
2-(1-methylcyclopropyl)sulfonyl-2,5-diazabicyclo[2.2.2]octane
CID 128870964
1-fluoro-1-methylcyclopropane
CID 18684623
1,3,5-trimethylcyclohexa-2,4-diene-1-sulfonyl fluoride
CID 88606925

Frequently Asked Questions

What is the IUPAC name of 1-methylcyclopropane-1-sulfonyl fluoride?
The IUPAC name of 1-methylcyclopropane-1-sulfonyl fluoride (CID 162341526) is 1-methylcyclopropane-1-sulfonyl fluoride.
What is the SMILES notation for 1-methylcyclopropane-1-sulfonyl fluoride?
The canonical SMILES for 1-methylcyclopropane-1-sulfonyl fluoride is CC1(S(=O)(=O)F)CC1.
What is the InChIKey of 1-methylcyclopropane-1-sulfonyl fluoride?
The InChIKey is PLGJSBPWEHPEHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7FO2S/c1-4(2-3-4)8(5,6)7/h2-3H2,1H3.
What are the key properties of 1-methylcyclopropane-1-sulfonyl fluoride?
1-methylcyclopropane-1-sulfonyl fluoride has a molecular weight of 138.16 g/mol, XLogP of 0.84, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylcyclopropane-1-sulfonyl fluoride is sourced from PubChem (CID 162341526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).