ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate

C12H17FO3 — CID 10823229

IUPACethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate
SMILESCCOC(=O)/C(OC)=C(/F)C1=CCCCC1
InChIInChI=1S/C12H17FO3/c1-3-16-12(14)11(15-2)10(13)9-7-5-4-6-8-9/h7H,3-6,8H2,1-2H3/b11-10-
InChIKeyCVRCGFVSAWEUHA-KHPPLWFESA-N
MW228.26 g/mol
LogP2.88
Rot. Bonds4

About ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate

ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate (PubChem CID 10823229) has the molecular formula C12H17FO3 and a molecular weight of 228.26 g/mol. Its IUPAC name is ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate
PubChem CID10823229
Molecular FormulaC12H17FO3
Molecular Weight228.26 g/mol
Exact Mass228.12
IUPAC Nameethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate
SMILESCCOC(=O)/C(OC)=C(/F)C1=CCCCC1
InChIInChI=1S/C12H17FO3/c1-3-16-12(14)11(15-2)10(13)9-7-5-4-6-8-9/h7H,3-6,8H2,1-2H3/b11-10-
InChIKeyCVRCGFVSAWEUHA-KHPPLWFESA-N
XLogP2.88
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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methyl (Z)-2-[(2E)-3,7-dimethylocta-2,6-dienoxy]pent-2-enoate
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Ethyl 6-oxo-3-pentylpyran-2-carboxylate
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methyl (2Z,6E,8E)-2-methoxy-6-methyl-8-(trifluoromethyl)deca-2,6,8-trienoate
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Methyl 4-ethyl-6-oxopyran-2-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate (CID 10823229) is ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate is CCOC(=O)/C(OC)=C(/F)C1=CCCCC1.
What is the InChIKey of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate?
The InChIKey is CVRCGFVSAWEUHA-KHPPLWFESA-N. The full InChI is InChI=1S/C12H17FO3/c1-3-16-12(14)11(15-2)10(13)9-7-5-4-6-8-9/h7H,3-6,8H2,1-2H3/b11-10-.
What are the key properties of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate?
ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate has a molecular weight of 228.26 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoro-2-methoxyprop-2-enoate is sourced from PubChem (CID 10823229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).