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

C10H11FO3 — CID 105451309

IUPACethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(O)cc1
InChIInChI=1S/C10H11FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3
InChIKeyADSMQFHVFDGBRA-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.97
Rot. Bonds3

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

ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate (PubChem CID 105451309) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
PubChem CID105451309
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Nameethyl 2-fluoro-2-(4-hydroxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(O)cc1
InChIInChI=1S/C10H11FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3
InChIKeyADSMQFHVFDGBRA-UHFFFAOYSA-N
XLogP1.97
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-fluoro-2-(4-methylphenyl)acetate
CID 15712195
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-phenylphenyl)acetate
CID 21405824
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
ethyl 2-fluoro-2-(4-nitrophenyl)acetate
CID 132529905
ethyl 2-bromo-2-(4-hydroxyphenyl)acetate
CID 88979124
3-ethoxy-2-(4-hydroxyphenyl)-3-oxopropanoic acid
CID 140981315
ethyl 2,3-dihydroxy-3-(4-hydroxyphenyl)propanoate
CID 171865553
diethyl 2-[1-(4-hydroxyphenyl)ethyl]propanedioate
CID 10265664
ethyl 2-fluoro-2-(furan-3-yl)acetate
CID 79366156

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate (CID 105451309) is ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate is CCOC(=O)C(F)c1ccc(O)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate?
The InChIKey is ADSMQFHVFDGBRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c1-2-14-10(13)9(11)7-3-5-8(12)6-4-7/h3-6,9,12H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate?
ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate has a molecular weight of 198.19 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(4-hydroxyphenyl)acetate is sourced from PubChem (CID 105451309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).