3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one

C13H15FO — CID 112680399

IUPAC3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one
SMILESCC1C(=O)C(C)(C)C1c1ccccc1F
InChIInChI=1S/C13H15FO/c1-8-11(13(2,3)12(8)15)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3
InChIKeyURDRHHMCNYINIL-UHFFFAOYSA-N
MW206.26 g/mol
LogP3.15
Rot. Bonds1

About 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one

3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one (PubChem CID 112680399) has the molecular formula C13H15FO and a molecular weight of 206.26 g/mol. Its IUPAC name is 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one
PubChem CID112680399
Molecular FormulaC13H15FO
Molecular Weight206.26 g/mol
Exact Mass206.11
IUPAC Name3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one
SMILESCC1C(=O)C(C)(C)C1c1ccccc1F
InChIInChI=1S/C13H15FO/c1-8-11(13(2,3)12(8)15)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3
InChIKeyURDRHHMCNYINIL-UHFFFAOYSA-N
XLogP3.15
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.26
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

1,1,4-trimethyl-2a,3,4,8b-tetrahydrocyclobuta[a]naphthalen-2-one
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CID 174359153
2-ethyl-3-(2-fluorophenyl)-N,2,4-trimethylcyclobutan-1-amine
CID 112680421
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82112065
3-(2-fluorophenyl)cyclobutan-1-one
CID 53403957
(3R)-3-(2-fluorophenyl)-4,4-dimethyl-2-oxaspiro[5.5]undecane-1,5-dione
CID 706112
7-fluoro-3-methyl-2,3-dihydroisoindol-1-one
CID 84731555
3-(2-fluorophenyl)-2,2-dimethylcyclobutan-1-ol
CID 81415603
(4R)-4-(2-fluorophenyl)-3,3-dimethylpyrrolidine
CID 124671045
(2R)-2-(2-fluorophenyl)cyclobutan-1-one
CID 129416043
2-(2-fluorophenyl)-4-methylazetidine
CID 116822055
dimethyl (1R,2R,3R,4R)-2-(2-fluorophenyl)-4-hydroxy-4-methyl-6-oxocyclohexane-1,3-dicarboxylate
CID 7066180

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one?
The IUPAC name of 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one (CID 112680399) is 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one.
What is the SMILES notation for 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one?
The canonical SMILES for 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one is CC1C(=O)C(C)(C)C1c1ccccc1F.
What is the InChIKey of 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one?
The InChIKey is URDRHHMCNYINIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15FO/c1-8-11(13(2,3)12(8)15)9-6-4-5-7-10(9)14/h4-8,11H,1-3H3.
What are the key properties of 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one?
3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one has a molecular weight of 206.26 g/mol, XLogP of 3.15, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)-2,2,4-trimethylcyclobutan-1-one is sourced from PubChem (CID 112680399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).