ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate

C11H10F2O2 — CID 641319

IUPACethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1cccc(F)c1
InChIInChI=1S/C11H10F2O2/c1-2-15-11(14)10(13)7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3/b10-7-
InChIKeyRTEWJEUZJAVZEA-YFHOEESVSA-N
MW212.19 g/mol
LogP2.70
Rot. Bonds3

About ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate

ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate (PubChem CID 641319) has the molecular formula C11H10F2O2 and a molecular weight of 212.19 g/mol. Its IUPAC name is ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
PubChem CID641319
Molecular FormulaC11H10F2O2
Molecular Weight212.19 g/mol
Exact Mass212.06
IUPAC Nameethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1cccc(F)c1
InChIInChI=1S/C11H10F2O2/c1-2-15-11(14)10(13)7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3/b10-7-
InChIKeyRTEWJEUZJAVZEA-YFHOEESVSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

ethyl (2Z)-2-[(3-fluorophenyl)methylidene]-3-oxobutanoate
CID 5388615
ethyl (E)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
CID 803189
ethyl 3-(3-fluorophenyl)-2-formamidoprop-2-enoate
CID 91419249
ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
CID 625408
ethyl 4-[(E)-2-(3-fluorophenyl)ethenyl]benzoate
CID 138543086
ethyl N-[(Z)-2-cyano-3-(3-fluorophenyl)prop-2-enoyl]carbamate
CID 177430018
propyl (E)-2-cyano-3-(3-fluorophenyl)prop-2-enoate
CID 139577762
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enamide
CID 143272339
3-[4-(3-ethoxy-2-fluoro-3-oxoprop-1-enyl)phenyl]propanoic acid
CID 54391840
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
CID 101333146
(Z)-2-(4-ethylphenyl)-3-(3-fluorophenyl)prop-2-enoic acid
CID 83952457
(Z)-3-(3-fluorophenyl)-2-methylprop-2-enoic acid
CID 131513172

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate?
The IUPAC name of ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate (CID 641319) is ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate.
What is the SMILES notation for ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate?
The canonical SMILES for ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate is CCOC(=O)/C(F)=C/c1cccc(F)c1.
What is the InChIKey of ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate?
The InChIKey is RTEWJEUZJAVZEA-YFHOEESVSA-N. The full InChI is InChI=1S/C11H10F2O2/c1-2-15-11(14)10(13)7-8-4-3-5-9(12)6-8/h3-7H,2H2,1H3/b10-7-.
What are the key properties of ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate?
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate has a molecular weight of 212.19 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate is sourced from PubChem (CID 641319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).