(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal

C9H15FO2 — CID 143719961

IUPAC(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal
SMILESCC(CCO)CC/C=C(\F)C=O
InChIInChI=1S/C9H15FO2/c1-8(5-6-11)3-2-4-9(10)7-12/h4,7-8,11H,2-3,5-6H2,1H3/b9-4-
InChIKeyIAMXPMTYQWFAPU-WTKPLQERSA-N
MW174.22 g/mol
LogP1.84
Rot. Bonds6

About (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal

(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal (PubChem CID 143719961) has the molecular formula C9H15FO2 and a molecular weight of 174.22 g/mol. Its IUPAC name is (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal.

Molecular Properties

Compound Name(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal
PubChem CID143719961
Molecular FormulaC9H15FO2
Molecular Weight174.22 g/mol
Exact Mass174.11
IUPAC Name(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal
SMILESCC(CCO)CC/C=C(\F)C=O
InChIInChI=1S/C9H15FO2/c1-8(5-6-11)3-2-4-9(10)7-12/h4,7-8,11H,2-3,5-6H2,1H3/b9-4-
InChIKeyIAMXPMTYQWFAPU-WTKPLQERSA-N
XLogP1.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal?
The IUPAC name of (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal (CID 143719961) is (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal.
What is the SMILES notation for (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal?
The canonical SMILES for (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal is CC(CCO)CC/C=C(\F)C=O.
What is the InChIKey of (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal?
The InChIKey is IAMXPMTYQWFAPU-WTKPLQERSA-N. The full InChI is InChI=1S/C9H15FO2/c1-8(5-6-11)3-2-4-9(10)7-12/h4,7-8,11H,2-3,5-6H2,1H3/b9-4-.
What are the key properties of (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal?
(Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal has a molecular weight of 174.22 g/mol, XLogP of 1.84, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-2-fluoro-8-hydroxy-6-methyloct-2-enal is sourced from PubChem (CID 143719961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).