ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate

C13H16F2O3 — CID 155796862

IUPACethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(OC(C)C)cc1F
InChIInChI=1S/C13H16F2O3/c1-4-17-13(16)12(15)10-6-5-9(7-11(10)14)18-8(2)3/h5-8,12H,4H2,1-3H3
InChIKeyPNNMFICLJYFUQL-UHFFFAOYSA-N
MW258.26 g/mol
LogP3.19
Rot. Bonds5

About ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate

ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate (PubChem CID 155796862) has the molecular formula C13H16F2O3 and a molecular weight of 258.26 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate
PubChem CID155796862
Molecular FormulaC13H16F2O3
Molecular Weight258.26 g/mol
Exact Mass258.11
IUPAC Nameethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(OC(C)C)cc1F
InChIInChI=1S/C13H16F2O3/c1-4-17-13(16)12(15)10-6-5-9(7-11(10)14)18-8(2)3/h5-8,12H,4H2,1-3H3
InChIKeyPNNMFICLJYFUQL-UHFFFAOYSA-N
XLogP3.19
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.26
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

ethyl 2-[3-fluoro-4-[(1R)-1-hydroxyethyl]phenoxy]propanoate
CID 107720057
(1S)-1-(2-fluoro-4-pentan-2-yloxyphenyl)ethanamine
CID 107891175
ethyl (2R,3R)-3-(4-bromo-2-fluorophenyl)-2-methylbutanoate
CID 70316429
ethyl 3-amino-3-(2-fluoro-4-methoxyphenyl)propanoate
CID 165347738
ethyl 2-(2,5-dimethylphenyl)-2-fluoroacetate
CID 79366785
2-amino-2-(4-ethoxy-2-fluorophenyl)acetic acid
CID 84679537
(1R)-1-[4-(difluoromethoxy)-2-fluorophenyl]ethanol
CID 107720298
ethyl N-(4-propan-2-yloxyphenyl)carbamate
CID 731078
ethyl 2-fluoro-2-(4-fluoro-3-methylphenyl)acetate
CID 79366877
methyl 2-(4-ethoxy-2-fluorophenyl)-2-hydroxyacetate
CID 117328401
ethyl 2-(2,4-difluorophenyl)-3-oxopropanoate
CID 21200441
ethyl 4-[2-fluoro-4-(trifluoromethoxy)phenyl]-3,4-dihydroxybutanoate
CID 171898262

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate (CID 155796862) is ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate is CCOC(=O)C(F)c1ccc(OC(C)C)cc1F.
What is the InChIKey of ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate?
The InChIKey is PNNMFICLJYFUQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F2O3/c1-4-17-13(16)12(15)10-6-5-9(7-11(10)14)18-8(2)3/h5-8,12H,4H2,1-3H3.
What are the key properties of ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate?
ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate has a molecular weight of 258.26 g/mol, XLogP of 3.19, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-fluoro-2-(2-fluoro-4-propan-2-yloxyphenyl)acetate is sourced from PubChem (CID 155796862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).