5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride

C16H23FO2S — CID 87723418

IUPAC5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride
SMILESCC(C)C1CCC(C)(c2ccccc2)CC1S(=O)(=O)F
InChIInChI=1S/C16H23FO2S/c1-12(2)14-9-10-16(3,11-15(14)20(17,18)19)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyQMUQPKHEPWPIMS-UHFFFAOYSA-N
MW298.42 g/mol
LogP4.07
Rot. Bonds3

About 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride

5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride (PubChem CID 87723418) has the molecular formula C16H23FO2S and a molecular weight of 298.42 g/mol. Its IUPAC name is 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride.

Molecular Properties

Compound Name5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride
PubChem CID87723418
Molecular FormulaC16H23FO2S
Molecular Weight298.42 g/mol
Exact Mass298.14
IUPAC Name5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride
SMILESCC(C)C1CCC(C)(c2ccccc2)CC1S(=O)(=O)F
InChIInChI=1S/C16H23FO2S/c1-12(2)14-9-10-16(3,11-15(14)20(17,18)19)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3
InChIKeyQMUQPKHEPWPIMS-UHFFFAOYSA-N
XLogP4.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.42
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride?
The IUPAC name of 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride (CID 87723418) is 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride.
What is the SMILES notation for 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride?
The canonical SMILES for 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride is CC(C)C1CCC(C)(c2ccccc2)CC1S(=O)(=O)F.
What is the InChIKey of 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride?
The InChIKey is QMUQPKHEPWPIMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23FO2S/c1-12(2)14-9-10-16(3,11-15(14)20(17,18)19)13-7-5-4-6-8-13/h4-8,12,14-15H,9-11H2,1-3H3.
What are the key properties of 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride?
5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride has a molecular weight of 298.42 g/mol, XLogP of 4.07, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-phenyl-2-propan-2-ylcyclohexane-1-sulfonyl fluoride is sourced from PubChem (CID 87723418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).