fluoromethyl 2-methylidenenonanoate

C11H19FO2 — CID 160819966

IUPACfluoromethyl 2-methylidenenonanoate
SMILESC=C(CCCCCCC)C(=O)OCF
InChIInChI=1S/C11H19FO2/c1-3-4-5-6-7-8-10(2)11(13)14-9-12/h2-9H2,1H3
InChIKeySFKIHLDLQKDVKY-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.37
Rot. Bonds8

About fluoromethyl 2-methylidenenonanoate

fluoromethyl 2-methylidenenonanoate (PubChem CID 160819966) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is fluoromethyl 2-methylidenenonanoate.

Molecular Properties

Compound Namefluoromethyl 2-methylidenenonanoate
PubChem CID160819966
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Namefluoromethyl 2-methylidenenonanoate
SMILESC=C(CCCCCCC)C(=O)OCF
InChIInChI=1S/C11H19FO2/c1-3-4-5-6-7-8-10(2)11(13)14-9-12/h2-9H2,1H3
InChIKeySFKIHLDLQKDVKY-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
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

fluoromethyl 2-methylidenetetradecanoate
CID 174698214
ethyl 2-methylideneicosanoate
CID 22336431
heptyl 2-methylideneundecanoate
CID 176549260
nonyl 2-methylideneundecanoate
CID 142441213
butyl 2-methylideneoctanoate
CID 23364330
octadecyl 2-methylideneicosanoate
CID 57219526
ethene;ethyl 2-methylideneoctanoate
CID 87556875
6-hydroxyhexyl 2-methylidenepentadecanoate
CID 87107597
2-methylidenetetradecanoyl 2-methylidenetetradecanoate
CID 175288875
ethyl 8-fluoro-2-methylideneoctanoate
CID 118365464
butyl 2-methylidenedecanoate;nitrous acid
CID 174807118
trifluoromethyl 2-methylidenedecanoate
CID 90990908

Frequently Asked Questions

What is the IUPAC name of fluoromethyl 2-methylidenenonanoate?
The IUPAC name of fluoromethyl 2-methylidenenonanoate (CID 160819966) is fluoromethyl 2-methylidenenonanoate.
What is the SMILES notation for fluoromethyl 2-methylidenenonanoate?
The canonical SMILES for fluoromethyl 2-methylidenenonanoate is C=C(CCCCCCC)C(=O)OCF.
What is the InChIKey of fluoromethyl 2-methylidenenonanoate?
The InChIKey is SFKIHLDLQKDVKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-4-5-6-7-8-10(2)11(13)14-9-12/h2-9H2,1H3.
What are the key properties of fluoromethyl 2-methylidenenonanoate?
fluoromethyl 2-methylidenenonanoate has a molecular weight of 202.27 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for fluoromethyl 2-methylidenenonanoate is sourced from PubChem (CID 160819966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).