(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene

C9H15FO — CID 142281871

IUPAC(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene
SMILESC/C=C\C(F)=C(\CC)COC
InChIInChI=1S/C9H15FO/c1-4-6-9(10)8(5-2)7-11-3/h4,6H,5,7H2,1-3H3/b6-4-,9-8+
InChIKeyBLKZPXOULYJPCH-LJWGDIBWSA-N
MW158.22 g/mol
LogP2.84
Rot. Bonds4

About (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene

(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene (PubChem CID 142281871) has the molecular formula C9H15FO and a molecular weight of 158.22 g/mol. Its IUPAC name is (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene.

Molecular Properties

Compound Name(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene
PubChem CID142281871
Molecular FormulaC9H15FO
Molecular Weight158.22 g/mol
Exact Mass158.11
IUPAC Name(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene
SMILESC/C=C\C(F)=C(\CC)COC
InChIInChI=1S/C9H15FO/c1-4-6-9(10)8(5-2)7-11-3/h4,6H,5,7H2,1-3H3/b6-4-,9-8+
InChIKeyBLKZPXOULYJPCH-LJWGDIBWSA-N
XLogP2.84
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.22
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene 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 (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene?
The IUPAC name of (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene (CID 142281871) is (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene.
What is the SMILES notation for (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene?
The canonical SMILES for (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene is C/C=C\C(F)=C(\CC)COC.
What is the InChIKey of (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene?
The InChIKey is BLKZPXOULYJPCH-LJWGDIBWSA-N. The full InChI is InChI=1S/C9H15FO/c1-4-6-9(10)8(5-2)7-11-3/h4,6H,5,7H2,1-3H3/b6-4-,9-8+.
What are the key properties of (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene?
(2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene has a molecular weight of 158.22 g/mol, XLogP of 2.84, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-4-fluoro-5-(methoxymethyl)hepta-2,4-diene is sourced from PubChem (CID 142281871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).