ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate

C11H10ClFO2 — CID 101333146

IUPACethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccccc1Cl
InChIInChI=1S/C11H10ClFO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7H,2H2,1H3/b10-7-
InChIKeyPHPVVKSLXQDZOS-YFHOEESVSA-N
MW228.65 g/mol
LogP3.21
Rot. Bonds3

About ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate

ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate (PubChem CID 101333146) has the molecular formula C11H10ClFO2 and a molecular weight of 228.65 g/mol. Its IUPAC name is ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
PubChem CID101333146
Molecular FormulaC11H10ClFO2
Molecular Weight228.65 g/mol
Exact Mass228.04
IUPAC Nameethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate
SMILESCCOC(=O)/C(F)=C/c1ccccc1Cl
InChIInChI=1S/C11H10ClFO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7H,2H2,1H3/b10-7-
InChIKeyPHPVVKSLXQDZOS-YFHOEESVSA-N
XLogP3.21
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 53.21
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 (Z)-2-chloro-3-(2-chlorophenyl)prop-2-enoate
CID 13428145
ethyl (Z)-2-fluoro-3-(2-nitrophenyl)prop-2-enoate
CID 121222967
ethyl 3-(2-chlorophenyl)-2-formamidoprop-2-enoate
CID 74935582
ethyl (E)-4-(2-chlorophenyl)-2-oxobut-3-enoate
CID 53386631
(Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoyl chloride
CID 58417700
ethyl 5-(2-chlorophenyl)penta-2,4-dienoate
CID 91012118
ethyl 3-(2-chlorophenyl)-2-(1-methylimidazol-2-yl)prop-2-enoate
CID 47393873
ethyl 2-fluoro-3-(4-phenoxyphenyl)prop-2-enoate
CID 625408
ethyl (Z)-2-fluoro-3-(3-fluorophenyl)prop-2-enoate
CID 641319
potassium (Z)-1-(3-chloro-2-nitrophenyl)-3-ethoxy-3-oxoprop-1-en-2-olate
CID 134840259
2-[(2-chlorophenyl)methylidene]butanoic acid
CID 54425924
ethyl (E)-2-cyano-3-(2,3-dichlorophenyl)prop-2-enoate
CID 6243078

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate (CID 101333146) is ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate is CCOC(=O)/C(F)=C/c1ccccc1Cl.
What is the InChIKey of ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate?
The InChIKey is PHPVVKSLXQDZOS-YFHOEESVSA-N. The full InChI is InChI=1S/C11H10ClFO2/c1-2-15-11(14)10(13)7-8-5-3-4-6-9(8)12/h3-7H,2H2,1H3/b10-7-.
What are the key properties of ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate?
ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate has a molecular weight of 228.65 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(2-chlorophenyl)-2-fluoroprop-2-enoate is sourced from PubChem (CID 101333146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).