ethyl 8-fluoro-2-methylideneoctanoate

C11H19FO2 — CID 118365464

IUPACethyl 8-fluoro-2-methylideneoctanoate
SMILESC=C(CCCCCCF)C(=O)OCC
InChIInChI=1S/C11H19FO2/c1-3-14-11(13)10(2)8-6-4-5-7-9-12/h2-9H2,1H3
InChIKeyRZJSTDJZIONVMP-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.03
Rot. Bonds8

About ethyl 8-fluoro-2-methylideneoctanoate

ethyl 8-fluoro-2-methylideneoctanoate (PubChem CID 118365464) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is ethyl 8-fluoro-2-methylideneoctanoate.

Molecular Properties

Compound Nameethyl 8-fluoro-2-methylideneoctanoate
PubChem CID118365464
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Nameethyl 8-fluoro-2-methylideneoctanoate
SMILESC=C(CCCCCCF)C(=O)OCC
InChIInChI=1S/C11H19FO2/c1-3-14-11(13)10(2)8-6-4-5-7-9-12/h2-9H2,1H3
InChIKeyRZJSTDJZIONVMP-UHFFFAOYSA-N
XLogP3.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

ethyl 2-methylideneicosanoate
CID 22336431
ethene;ethyl 2-methylideneoctanoate
CID 87556875
ethyl 4-fluoro-2-methylidenebutanoate;hydrochloride
CID 175431630
fluoromethyl 2-methylidenetetradecanoate
CID 174698214
fluoromethyl 2-methylidenenonanoate
CID 160819966
ethyl 2-methylidene-5-trimethoxysilylpentanoate
CID 25168029
ethyl 6-fluorohexanoate
CID 11518
ethyl 18-fluorooctadecanoate
CID 155894246
ethyl 10-methyl-2-methylidenedodecanoate
CID 139878414
1-O-ethyl 7-O-propan-2-yl 2-methylideneheptanedioate
CID 51031426
ethyl 7-(2,2-dimethylpropanoyloxy)-2-methylideneheptanoate
CID 10563988
nonyl 2-methylideneundecanoate
CID 142441213

Frequently Asked Questions

What is the IUPAC name of ethyl 8-fluoro-2-methylideneoctanoate?
The IUPAC name of ethyl 8-fluoro-2-methylideneoctanoate (CID 118365464) is ethyl 8-fluoro-2-methylideneoctanoate.
What is the SMILES notation for ethyl 8-fluoro-2-methylideneoctanoate?
The canonical SMILES for ethyl 8-fluoro-2-methylideneoctanoate is C=C(CCCCCCF)C(=O)OCC.
What is the InChIKey of ethyl 8-fluoro-2-methylideneoctanoate?
The InChIKey is RZJSTDJZIONVMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-14-11(13)10(2)8-6-4-5-7-9-12/h2-9H2,1H3.
What are the key properties of ethyl 8-fluoro-2-methylideneoctanoate?
ethyl 8-fluoro-2-methylideneoctanoate has a molecular weight of 202.27 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 8-fluoro-2-methylideneoctanoate is sourced from PubChem (CID 118365464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).