2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride

C12H17FO2S — CID 115045366

IUPAC2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
SMILESCc1cccc(CC(C)(C)CS(=O)(=O)F)c1
InChIInChI=1S/C12H17FO2S/c1-10-5-4-6-11(7-10)8-12(2,3)9-16(13,14)15/h4-7H,8-9H2,1-3H3
InChIKeyVCIBDWICGDCEBM-UHFFFAOYSA-N
MW244.33 g/mol
LogP2.86
Rot. Bonds4

About 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride

2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride (PubChem CID 115045366) has the molecular formula C12H17FO2S and a molecular weight of 244.33 g/mol. Its IUPAC name is 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride.

Molecular Properties

Compound Name2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
PubChem CID115045366
Molecular FormulaC12H17FO2S
Molecular Weight244.33 g/mol
Exact Mass244.09
IUPAC Name2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride
SMILESCc1cccc(CC(C)(C)CS(=O)(=O)F)c1
InChIInChI=1S/C12H17FO2S/c1-10-5-4-6-11(7-10)8-12(2,3)9-16(13,14)15/h4-7H,8-9H2,1-3H3
InChIKeyVCIBDWICGDCEBM-UHFFFAOYSA-N
XLogP2.86
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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N-ethyl-4,4-dimethyl-5-(3-methylphenyl)pentan-2-amine
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2,2-dimethylpropane;1-(2,2-dimethylpropyl)-3-methylbenzene;ethane;propane
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1-(2,2-dimethylbut-3-ynyl)-3-methylbenzene
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3-fluoro-3-methyl-1-(3-methylphenyl)butan-2-one
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1,1,2-tris(3-methylphenyl)ethylphosphane
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2-fluoro-N,2-dimethyl-3-(3-methylphenyl)propan-1-amine
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride?
The IUPAC name of 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride (CID 115045366) is 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride.
What is the SMILES notation for 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride?
The canonical SMILES for 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride is Cc1cccc(CC(C)(C)CS(=O)(=O)F)c1.
What is the InChIKey of 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride?
The InChIKey is VCIBDWICGDCEBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FO2S/c1-10-5-4-6-11(7-10)8-12(2,3)9-16(13,14)15/h4-7H,8-9H2,1-3H3.
What are the key properties of 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride?
2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride has a molecular weight of 244.33 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-3-(3-methylphenyl)propane-1-sulfonyl fluoride is sourced from PubChem (CID 115045366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).