2-ethyl-2-fluoronon-8-enoic acid

C11H19FO2 — CID 166852620

IUPAC2-ethyl-2-fluoronon-8-enoic acid
SMILESC=CCCCCCC(F)(CC)C(=O)O
InChIInChI=1S/C11H19FO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3H,1,4-9H2,2H3,(H,13,14)
InChIKeyXDCCHVQTLKLETN-UHFFFAOYSA-N
MW202.27 g/mol
LogP3.33
Rot. Bonds8

About 2-ethyl-2-fluoronon-8-enoic acid

2-ethyl-2-fluoronon-8-enoic acid (PubChem CID 166852620) has the molecular formula C11H19FO2 and a molecular weight of 202.27 g/mol. Its IUPAC name is 2-ethyl-2-fluoronon-8-enoic acid.

Molecular Properties

Compound Name2-ethyl-2-fluoronon-8-enoic acid
PubChem CID166852620
Molecular FormulaC11H19FO2
Molecular Weight202.27 g/mol
Exact Mass202.14
IUPAC Name2-ethyl-2-fluoronon-8-enoic acid
SMILESC=CCCCCCC(F)(CC)C(=O)O
InChIInChI=1S/C11H19FO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3H,1,4-9H2,2H3,(H,13,14)
InChIKeyXDCCHVQTLKLETN-UHFFFAOYSA-N
XLogP3.33
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.27
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-2-propyldec-9-enoic acid
CID 151821272
2-fluoro-2-prop-2-enyloctadecanoic acid
CID 87607806
2-bromo-2-methyltetradec-13-enoic acid
CID 87350164
2-amino-2-methyldec-9-enoic acid
CID 76833646
2,3-diethyl-2-pentadec-14-enylbutanedioic acid
CID 88816281
2-amino-2-ethenylnon-8-enoic acid
CID 156562405
2,2,2-trifluoroacetic acid;undec-10-enoic acid
CID 166789468
(2R)-2-methyl-2-(methylamino)dec-9-enoic acid
CID 131871099
8,8,8-trifluorooct-1-ene
CID 11008282
2-(2-ethoxyethyl)-2-undec-10-enyltridec-12-enoic acid
CID 87866070
methyl 2-fluoro-2-methylnon-8-enoate
CID 146260741
3-ethyltridec-12-en-3-yl acetate
CID 15415275

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-2-fluoronon-8-enoic acid?
The IUPAC name of 2-ethyl-2-fluoronon-8-enoic acid (CID 166852620) is 2-ethyl-2-fluoronon-8-enoic acid.
What is the SMILES notation for 2-ethyl-2-fluoronon-8-enoic acid?
The canonical SMILES for 2-ethyl-2-fluoronon-8-enoic acid is C=CCCCCCC(F)(CC)C(=O)O.
What is the InChIKey of 2-ethyl-2-fluoronon-8-enoic acid?
The InChIKey is XDCCHVQTLKLETN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO2/c1-3-5-6-7-8-9-11(12,4-2)10(13)14/h3H,1,4-9H2,2H3,(H,13,14).
What are the key properties of 2-ethyl-2-fluoronon-8-enoic acid?
2-ethyl-2-fluoronon-8-enoic acid has a molecular weight of 202.27 g/mol, XLogP of 3.33, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-2-fluoronon-8-enoic acid is sourced from PubChem (CID 166852620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).