methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate

C12H15FO2 — CID 105464025

IUPACmethyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
SMILESCOC(=O)C(C)(F)c1ccc(C)cc1C
InChIInChI=1S/C12H15FO2/c1-8-5-6-10(9(2)7-8)12(3,13)11(14)15-4/h5-7H,1-4H3
InChIKeyOYTSPVFKKPBMGK-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.66
Rot. Bonds2

About methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate

methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate (PubChem CID 105464025) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate.

Molecular Properties

Compound Namemethyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
PubChem CID105464025
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Namemethyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate
SMILESCOC(=O)C(C)(F)c1ccc(C)cc1C
InChIInChI=1S/C12H15FO2/c1-8-5-6-10(9(2)7-8)12(3,13)11(14)15-4/h5-7H,1-4H3
InChIKeyOYTSPVFKKPBMGK-UHFFFAOYSA-N
XLogP2.66
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

methyl 2-(2,4-dimethylphenyl)-2-hydroxy-2-phenylacetate
CID 62214661
1-[2-[2-(2,4-dimethylphenyl)propan-2-yloxy]propan-2-yl]-2,4-dimethylbenzene
CID 170152443
methyl 2-[2-(dimethylamino)ethylamino]-2-(2,4-dimethylphenyl)propanoate
CID 61002978
2-(2,5-dimethylphenyl)-2-fluoropropanoic acid
CID 105425199
ethyl 2-(2,5-dimethylphenyl)-2-methylpropanoate
CID 62550626
1-[1,1-bis(2,4-dimethylphenyl)ethyl]-2,4-dimethylbenzene
CID 19090109
[2-(2,4-dimethylphenyl)-2-methylpropyl]carbamic acid
CID 115171380
2-(2,4-dimethylphenyl)-2-hydroxypropanal
CID 66040527
1-(2,4-dimethylphenyl)-1,1-difluoro-2-methylpropan-2-amine
CID 116839374
N-[2-(2,4-dimethylphenyl)-2-methylpropyl]acetamide
CID 115191406
methyl 2-fluoro-2-(2-methylsulfanylphenyl)propanoate
CID 105485565
methyl 2-methyl-2-(N,2,4-trimethylanilino)propanoate
CID 115128341

Frequently Asked Questions

What is the IUPAC name of methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate?
The IUPAC name of methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate (CID 105464025) is methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate.
What is the SMILES notation for methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate?
The canonical SMILES for methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate is COC(=O)C(C)(F)c1ccc(C)cc1C.
What is the InChIKey of methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate?
The InChIKey is OYTSPVFKKPBMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-8-5-6-10(9(2)7-8)12(3,13)11(14)15-4/h5-7H,1-4H3.
What are the key properties of methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate?
methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate has a molecular weight of 210.25 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(2,4-dimethylphenyl)-2-fluoropropanoate is sourced from PubChem (CID 105464025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).