ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate

C11H15FO2 — CID 138979816

IUPACethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate
SMILESCCOC(=O)/C=C(\F)C1=CCCCC1
InChIInChI=1S/C11H15FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8-
InChIKeySUBAHHBPKQQYFH-NTMALXAHSA-N
MW198.24 g/mol
LogP2.90
Rot. Bonds3

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

ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate (PubChem CID 138979816) has the molecular formula C11H15FO2 and a molecular weight of 198.24 g/mol. Its IUPAC name is ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate.

Molecular Properties

Compound Nameethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate
PubChem CID138979816
Molecular FormulaC11H15FO2
Molecular Weight198.24 g/mol
Exact Mass198.11
IUPAC Nameethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate
SMILESCCOC(=O)/C=C(\F)C1=CCCCC1
InChIInChI=1S/C11H15FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8-
InChIKeySUBAHHBPKQQYFH-NTMALXAHSA-N
XLogP2.90
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.24
LogP ≤ 52.90
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

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methyl (2E)-2-cyclohexen-1-ylideneethanoate
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Ethyl 4-fluoro-3-methylpent-2-en-1-oate
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5-Pentyl-2H-pyran-2-one
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6-Methyl-4-pentylpyran-2-one
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ethyl (2Z)-4-fluoro-3-methylpent-2-enoate
CID 23234171
Methyl (E)-2-(cyclohex-2-en-1-ylidene)acetate
CID 73182472
Ethyl 3-ethyl-7-methyl-2,6-octadienoate
CID 6365588
ethyl (E)-3-(cyclohexen-1-yl)prop-2-enoate
CID 5358362
(Z)-Ethyl 3-methylhept-2-enoate
CID 12195016
Ethyl 3-methylhept-2-enoate
CID 12195017

Frequently Asked Questions

What is the IUPAC name of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate?
The IUPAC name of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate (CID 138979816) is ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate.
What is the SMILES notation for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate?
The canonical SMILES for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate is CCOC(=O)/C=C(\F)C1=CCCCC1.
What is the InChIKey of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate?
The InChIKey is SUBAHHBPKQQYFH-NTMALXAHSA-N. The full InChI is InChI=1S/C11H15FO2/c1-2-14-11(13)8-10(12)9-6-4-3-5-7-9/h6,8H,2-5,7H2,1H3/b10-8-.
What are the key properties of ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate?
ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate has a molecular weight of 198.24 g/mol, XLogP of 2.90, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (Z)-3-(cyclohexen-1-yl)-3-fluoroprop-2-enoate is sourced from PubChem (CID 138979816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).