ethyl 2-fluoro-2-(4-methylphenyl)acetate

C11H13FO2 — CID 15712195

IUPACethyl 2-fluoro-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(C)cc1
InChIInChI=1S/C11H13FO2/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyVKMROBPGBLDBLK-UHFFFAOYSA-N
MW196.22 g/mol
LogP2.57
Rot. Bonds3

About ethyl 2-fluoro-2-(4-methylphenyl)acetate

ethyl 2-fluoro-2-(4-methylphenyl)acetate (PubChem CID 15712195) has the molecular formula C11H13FO2 and a molecular weight of 196.22 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-methylphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-methylphenyl)acetate
PubChem CID15712195
Molecular FormulaC11H13FO2
Molecular Weight196.22 g/mol
Exact Mass196.09
IUPAC Nameethyl 2-fluoro-2-(4-methylphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(C)cc1
InChIInChI=1S/C11H13FO2/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3
InChIKeyVKMROBPGBLDBLK-UHFFFAOYSA-N
XLogP2.57
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.22
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
CID 105451309
ethyl 2-fluoro-2-(4-phenylphenyl)acetate
CID 21405824
ethyl (2S)-2-(4-bromophenyl)-2-fluoroacetate
CID 125041350
ethyl 2-(4-tert-butylphenyl)-2-fluoroacetate
CID 79367067
ethyl 2-fluoro-2-(4-nitrosophenyl)acetate
CID 174499307
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156
propyl (2R)-2-fluoro-2-(4-methylphenyl)acetate;propyl (2S)-2-hydroxy-2-(4-methylphenyl)acetate;propyl 2-(4-methylphenyl)acetate
CID 158512337
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
diethyl (2R,3R)-2-bromo-3-(4-methylphenyl)butanedioate
CID 7046713
ethyl (2S)-2-cyano-2-(4-methylphenyl)acetate
CID 13004220

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-methylphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-methylphenyl)acetate (CID 15712195) is ethyl 2-fluoro-2-(4-methylphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-methylphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-methylphenyl)acetate is CCOC(=O)C(F)c1ccc(C)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-methylphenyl)acetate?
The InChIKey is VKMROBPGBLDBLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FO2/c1-3-14-11(13)10(12)9-6-4-8(2)5-7-9/h4-7,10H,3H2,1-2H3.
What are the key properties of ethyl 2-fluoro-2-(4-methylphenyl)acetate?
ethyl 2-fluoro-2-(4-methylphenyl)acetate has a molecular weight of 196.22 g/mol, XLogP of 2.57, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-methylphenyl)acetate is sourced from PubChem (CID 15712195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).