2-fluoro-5-methoxyhepta-1,3,5-triene

C8H11FO — CID 123941397

IUPAC2-fluoro-5-methoxyhepta-1,3,5-triene
SMILESC=C(F)C=CC(=CC)OC
InChIInChI=1S/C8H11FO/c1-4-8(10-3)6-5-7(2)9/h4-6H,2H2,1,3H3
InChIKeyLHEWFEFZYKJBIY-UHFFFAOYSA-N
MW142.17 g/mol
LogP2.58
Rot. Bonds3

About 2-fluoro-5-methoxyhepta-1,3,5-triene

2-fluoro-5-methoxyhepta-1,3,5-triene (PubChem CID 123941397) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is 2-fluoro-5-methoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name2-fluoro-5-methoxyhepta-1,3,5-triene
PubChem CID123941397
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name2-fluoro-5-methoxyhepta-1,3,5-triene
SMILESC=C(F)C=CC(=CC)OC
InChIInChI=1S/C8H11FO/c1-4-8(10-3)6-5-7(2)9/h4-6H,2H2,1,3H3
InChIKeyLHEWFEFZYKJBIY-UHFFFAOYSA-N
XLogP2.58
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3Z,5E)-5-methoxy-2-(methylsulfanylmethyl)hepta-1,3,5-triene
CID 166777674
(4Z,6E)-6-methoxy-2,3-dimethylocta-2,4,6-triene
CID 177034485
(3Z,5E)-5-bromo-2-fluorohepta-1,3,5-triene
CID 164594672
1-[(3Z,5E)-5-methoxyhepta-1,3,5-trien-2-yl]piperazine
CID 142202942
(4Z,6E)-3-tert-butyl-6-methoxy-3-methylocta-1,4,6-triene
CID 145179802
(2Z,4E,5Z)-4-ethylidene-7-fluoroocta-2,5,7-trien-3-amine
CID 144654304
2-fluoro-5-nitrosohepta-1,3,5-triene
CID 123549824
6-ethylidene-2-fluoro-5-methylidenenona-1,3,7-triene
CID 123639498
(3Z,7Z)-2-fluoro-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene
CID 143485598
(3Z,5E)-2-methyl-5-(2,2,2-trifluoroethoxy)hepta-1,3,5-triene
CID 144927287
3-bromo-5-(5-methoxyhepta-1,3,5-trien-2-yl)-4-methyl-2,5-dihydro-1,2-oxazole
CID 90731425
(5-methoxy-2-methylidenehepta-3,5-dienyl) N-(1-hydroxy-2-methylpropan-2-yl)ethanimidate
CID 123219816

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-methoxyhepta-1,3,5-triene?
The IUPAC name of 2-fluoro-5-methoxyhepta-1,3,5-triene (CID 123941397) is 2-fluoro-5-methoxyhepta-1,3,5-triene.
What is the SMILES notation for 2-fluoro-5-methoxyhepta-1,3,5-triene?
The canonical SMILES for 2-fluoro-5-methoxyhepta-1,3,5-triene is C=C(F)C=CC(=CC)OC.
What is the InChIKey of 2-fluoro-5-methoxyhepta-1,3,5-triene?
The InChIKey is LHEWFEFZYKJBIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-8(10-3)6-5-7(2)9/h4-6H,2H2,1,3H3.
What are the key properties of 2-fluoro-5-methoxyhepta-1,3,5-triene?
2-fluoro-5-methoxyhepta-1,3,5-triene has a molecular weight of 142.17 g/mol, XLogP of 2.58, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-methoxyhepta-1,3,5-triene is sourced from PubChem (CID 123941397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).