ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate

C12H15FO2 — CID 79366785

IUPACethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cc(C)ccc1C
InChIInChI=1S/C12H15FO2/c1-4-15-12(14)11(13)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3
InChIKeyTVIPUAGUBRCIMT-UHFFFAOYSA-N
MW210.25 g/mol
LogP2.88
Rot. Bonds3

About ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate

ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate (PubChem CID 79366785) has the molecular formula C12H15FO2 and a molecular weight of 210.25 g/mol. Its IUPAC name is ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate.

Molecular Properties

Compound Nameethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
PubChem CID79366785
Molecular FormulaC12H15FO2
Molecular Weight210.25 g/mol
Exact Mass210.11
IUPAC Nameethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
SMILESCCOC(=O)C(F)c1cc(C)ccc1C
InChIInChI=1S/C12H15FO2/c1-4-15-12(14)11(13)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3
InChIKeyTVIPUAGUBRCIMT-UHFFFAOYSA-N
XLogP2.88
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-(2,5-dimethylphenyl)-3-hydroxypropanoate
CID 45097761
ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
ethyl (2S)-3-acetyloxy-2-(2,5-dimethylphenyl)propanoate
CID 101354732
ethyl 3-(2,5-dimethylphenyl)-2,2-difluoro-3-hydroxypropanoate
CID 62398379
ethyl 2-(2,3-dimethylphenyl)-2-fluoroacetate
CID 79366968
ethyl 3-(2,4-dimethylphenyl)-2,3-dihydroxypropanoate
CID 171865672
methyl 2-(2,5-dimethylphenyl)-2-(propylamino)acetate
CID 54977746
ethyl (2S)-2-(2,4-dimethylphenyl)-2-hydroxyacetate
CID 102392309
ethyl 3-(2,5-dimethylphenyl)-3-(ethylamino)propanoate
CID 65233713
ethyl 3-(2,4-dimethylphenyl)-2-formamido-3-hydroxypropanoate
CID 66206133
butyl 2-fluoro-2-(2-methylphenyl)acetate
CID 168864548
methyl 2-[(2,5-dimethylphenyl)-hydroxymethyl]butanoate
CID 62395439

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate?
The IUPAC name of ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate (CID 79366785) is ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate.
What is the SMILES notation for ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate?
The canonical SMILES for ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate is CCOC(=O)C(F)c1cc(C)ccc1C.
What is the InChIKey of ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate?
The InChIKey is TVIPUAGUBRCIMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FO2/c1-4-15-12(14)11(13)10-7-8(2)5-6-9(10)3/h5-7,11H,4H2,1-3H3.
What are the key properties of ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate?
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate has a molecular weight of 210.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate is sourced from PubChem (CID 79366785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).