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

C10H10F2O2 — CID 79367432

IUPACethyl 2-fluoro-2-(4-fluorophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(F)cc1
InChIInChI=1S/C10H10F2O2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyMXRQTJKYHFZPBG-UHFFFAOYSA-N
MW200.18 g/mol
LogP2.40
Rot. Bonds3

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

ethyl 2-fluoro-2-(4-fluorophenyl)acetate (PubChem CID 79367432) has the molecular formula C10H10F2O2 and a molecular weight of 200.18 g/mol. Its IUPAC name is ethyl 2-fluoro-2-(4-fluorophenyl)acetate.

Molecular Properties

Compound Nameethyl 2-fluoro-2-(4-fluorophenyl)acetate
PubChem CID79367432
Molecular FormulaC10H10F2O2
Molecular Weight200.18 g/mol
Exact Mass200.06
IUPAC Nameethyl 2-fluoro-2-(4-fluorophenyl)acetate
SMILESCCOC(=O)C(F)c1ccc(F)cc1
InChIInChI=1S/C10H10F2O2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3
InChIKeyMXRQTJKYHFZPBG-UHFFFAOYSA-N
XLogP2.40
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.18
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze ethyl 2-fluoro-2-(4-fluorophenyl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl 2-fluoro-2-(4-fluorophenyl)acetate?
The IUPAC name of ethyl 2-fluoro-2-(4-fluorophenyl)acetate (CID 79367432) is ethyl 2-fluoro-2-(4-fluorophenyl)acetate.
What is the SMILES notation for ethyl 2-fluoro-2-(4-fluorophenyl)acetate?
The canonical SMILES for ethyl 2-fluoro-2-(4-fluorophenyl)acetate is CCOC(=O)C(F)c1ccc(F)cc1.
What is the InChIKey of ethyl 2-fluoro-2-(4-fluorophenyl)acetate?
The InChIKey is MXRQTJKYHFZPBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F2O2/c1-2-14-10(13)9(12)7-3-5-8(11)6-4-7/h3-6,9H,2H2,1H3.
What are the key properties of ethyl 2-fluoro-2-(4-fluorophenyl)acetate?
ethyl 2-fluoro-2-(4-fluorophenyl)acetate has a molecular weight of 200.18 g/mol, XLogP of 2.40, 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-fluorophenyl)acetate is sourced from PubChem (CID 79367432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).