ethyl 2-ethoxy-2-fluoropent-4-enoate

C9H15FO3 — CID 88797380

IUPACethyl 2-ethoxy-2-fluoropent-4-enoate
SMILESC=CCC(F)(OCC)C(=O)OCC
InChIInChI=1S/C9H15FO3/c1-4-7-9(10,13-6-3)8(11)12-5-2/h4H,1,5-7H2,2-3H3
InChIKeyIJFVIGFGDOMHHG-UHFFFAOYSA-N
MW190.21 g/mol
LogP1.83
Rot. Bonds6

About ethyl 2-ethoxy-2-fluoropent-4-enoate

ethyl 2-ethoxy-2-fluoropent-4-enoate (PubChem CID 88797380) has the molecular formula C9H15FO3 and a molecular weight of 190.21 g/mol. Its IUPAC name is ethyl 2-ethoxy-2-fluoropent-4-enoate.

Molecular Properties

Compound Nameethyl 2-ethoxy-2-fluoropent-4-enoate
PubChem CID88797380
Molecular FormulaC9H15FO3
Molecular Weight190.21 g/mol
Exact Mass190.10
IUPAC Nameethyl 2-ethoxy-2-fluoropent-4-enoate
SMILESC=CCC(F)(OCC)C(=O)OCC
InChIInChI=1S/C9H15FO3/c1-4-7-9(10,13-6-3)8(11)12-5-2/h4H,1,5-7H2,2-3H3
InChIKeyIJFVIGFGDOMHHG-UHFFFAOYSA-N
XLogP1.83
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.21
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

Methyl 2-fluoro-2-methoxypent-4-enoate
CID 53776165
2-Methoxy-2-(trifluoromethyl)-4-pentenoic acid methyl ester
CID 102421738
1-O-(2-fluoroethyl) 2-O-(1-fluoropent-4-en-2-yl) oxalate
CID 141722396
Ethyl 3-fluoro-2,2-dihydroxypent-4-enoate
CID 150431025
methyl (2S)-2-acetyloxypent-4-enoate
CID 11513826
Methyl 2,2-dimethoxypent-4-enoate
CID 12456496
ethyl (2S)-2-acetyloxypent-4-enoate
CID 101958381
Methyl 2-butoxy-4-pentenoate
CID 129754961
Ethyl 2-prop-2-enoxypent-4-enoate
CID 134979680
Pent-4-en-2-yl perfluoro-2-propoxypropanoate
CID 23628770
Ethyl 2,2-difluoro-2-pent-4-enoxyacetate
CID 79114368
Ethyl 2-but-3-enoxy-2-fluoroacetate
CID 79356564

Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethoxy-2-fluoropent-4-enoate?
The IUPAC name of ethyl 2-ethoxy-2-fluoropent-4-enoate (CID 88797380) is ethyl 2-ethoxy-2-fluoropent-4-enoate.
What is the SMILES notation for ethyl 2-ethoxy-2-fluoropent-4-enoate?
The canonical SMILES for ethyl 2-ethoxy-2-fluoropent-4-enoate is C=CCC(F)(OCC)C(=O)OCC.
What is the InChIKey of ethyl 2-ethoxy-2-fluoropent-4-enoate?
The InChIKey is IJFVIGFGDOMHHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15FO3/c1-4-7-9(10,13-6-3)8(11)12-5-2/h4H,1,5-7H2,2-3H3.
What are the key properties of ethyl 2-ethoxy-2-fluoropent-4-enoate?
ethyl 2-ethoxy-2-fluoropent-4-enoate has a molecular weight of 190.21 g/mol, XLogP of 1.83, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethoxy-2-fluoropent-4-enoate is sourced from PubChem (CID 88797380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).