4-methylcyclohexane-1-sulfonyl fluoride

C7H13FO2S — CID 139363291

IUPAC4-methylcyclohexane-1-sulfonyl fluoride
SMILESCC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C7H13FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3
InChIKeyLCKZFOWVSUKAEI-UHFFFAOYSA-N
MW180.24 g/mol
LogP1.86
Rot. Bonds1

About 4-methylcyclohexane-1-sulfonyl fluoride

4-methylcyclohexane-1-sulfonyl fluoride (PubChem CID 139363291) has the molecular formula C7H13FO2S and a molecular weight of 180.24 g/mol. Its IUPAC name is 4-methylcyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name4-methylcyclohexane-1-sulfonyl fluoride
PubChem CID139363291
Molecular FormulaC7H13FO2S
Molecular Weight180.24 g/mol
Exact Mass180.06
IUPAC Name4-methylcyclohexane-1-sulfonyl fluoride
SMILESCC1CCC(S(=O)(=O)F)CC1
InChIInChI=1S/C7H13FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3
InChIKeyLCKZFOWVSUKAEI-UHFFFAOYSA-N
XLogP1.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.24
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methylcyclohexane-1-sulfonyl fluoride?
The IUPAC name of 4-methylcyclohexane-1-sulfonyl fluoride (CID 139363291) is 4-methylcyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 4-methylcyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 4-methylcyclohexane-1-sulfonyl fluoride is CC1CCC(S(=O)(=O)F)CC1.
What is the InChIKey of 4-methylcyclohexane-1-sulfonyl fluoride?
The InChIKey is LCKZFOWVSUKAEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13FO2S/c1-6-2-4-7(5-3-6)11(8,9)10/h6-7H,2-5H2,1H3.
What are the key properties of 4-methylcyclohexane-1-sulfonyl fluoride?
4-methylcyclohexane-1-sulfonyl fluoride has a molecular weight of 180.24 g/mol, XLogP of 1.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylcyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 139363291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).