4-methylcyclohex-3-ene-1-sulfonyl fluoride

C7H11FO2S — CID 165460490

IUPAC4-methylcyclohex-3-ene-1-sulfonyl fluoride
SMILESCC1=CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C7H11FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2,7H,3-5H2,1H3
InChIKeyLBERYZWHKSYABA-UHFFFAOYSA-N
MW178.23 g/mol
LogP1.78
Rot. Bonds1

About 4-methylcyclohex-3-ene-1-sulfonyl fluoride

4-methylcyclohex-3-ene-1-sulfonyl fluoride (PubChem CID 165460490) has the molecular formula C7H11FO2S and a molecular weight of 178.23 g/mol. Its IUPAC name is 4-methylcyclohex-3-ene-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylcyclohex-3-ene-1-sulfonyl fluoride
PubChem CID165460490
Molecular FormulaC7H11FO2S
Molecular Weight178.23 g/mol
Exact Mass178.05
IUPAC Name4-methylcyclohex-3-ene-1-sulfonyl fluoride
SMILESCC1=CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C7H11FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2,7H,3-5H2,1H3
InChIKeyLBERYZWHKSYABA-UHFFFAOYSA-N
XLogP1.78
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500178.23
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

Cyclohex-3-ene-1-sulfonyl fluoride
CID 132327684
Methyloct-1-ene-6-sulfonyl fluoride
CID 129773352
Cyclohex-1-ene-1-sulfonyl fluoride
CID 164671094
3-(Difluoromethyl)oct-2-ene-1-sulfonyl fluoride
CID 175426926
3,4-Dimethylcyclohex-3-ene-1-sulfonyl fluoride
CID 165453066
Cyclohexen-1-ylmethanesulfinate
CID 13222764
4-Methylcyclohex-3-ene-1-sulfonyl chloride
CID 55280023
1-Methyl-4-methylsulfonylcyclohexene
CID 89224820
4-Methylcyclohex-3-ene-1-sulfonic acid
CID 123535712
3-Methylcyclohex-3-ene-1-sulfonyl chloride
CID 140136249
2-Methylcyclohex-2-ene-1-sulfonyl chloride
CID 142659748
4-Methylcyclohex-3-ene-1-sulfinate
CID 147940109

Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohex-3-ene-1-sulfonyl fluoride?
The IUPAC name of 4-methylcyclohex-3-ene-1-sulfonyl fluoride (CID 165460490) is 4-methylcyclohex-3-ene-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylcyclohex-3-ene-1-sulfonyl fluoride?
The canonical SMILES for 4-methylcyclohex-3-ene-1-sulfonyl fluoride is CC1=CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylcyclohex-3-ene-1-sulfonyl fluoride?
The InChIKey is LBERYZWHKSYABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h2,7H,3-5H2,1H3.
What are the key properties of 4-methylcyclohex-3-ene-1-sulfonyl fluoride?
4-methylcyclohex-3-ene-1-sulfonyl fluoride has a molecular weight of 178.23 g/mol, XLogP of 1.78, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohex-3-ene-1-sulfonyl fluoride is sourced from PubChem (CID 165460490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).