(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene

C8H11FO — CID 146433793

IUPAC(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene
SMILESC=C/C(F)=C\C(=C)COC
InChIInChI=1S/C8H11FO/c1-4-8(9)5-7(2)6-10-3/h4-5H,1-2,6H2,3H3/b8-5+
InChIKeyTVKNHPWBNTUUSL-VMPITWQZSA-N
MW142.17 g/mol
LogP2.23
Rot. Bonds4

About (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene

(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene (PubChem CID 146433793) has the molecular formula C8H11FO and a molecular weight of 142.17 g/mol. Its IUPAC name is (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene
PubChem CID146433793
Molecular FormulaC8H11FO
Molecular Weight142.17 g/mol
Exact Mass142.08
IUPAC Name(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene
SMILESC=C/C(F)=C\C(=C)COC
InChIInChI=1S/C8H11FO/c1-4-8(9)5-7(2)6-10-3/h4-5H,1-2,6H2,3H3/b8-5+
InChIKeyTVKNHPWBNTUUSL-VMPITWQZSA-N
XLogP2.23
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.17
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Methoxymethyl)cyclooctatetraene
CID 5370610
3-Ethenyl-6-methoxyhexa-1,3-diene
CID 134835479
Lithium methoxymethylbenzene
CID 22382344
2-Fluoro-6-methoxy-1-methylcyclohexa-1,3-diene
CID 68381504
2-(fluoromethyl)-5-prop-1-enyl-3,6-dihydro-2H-pyran
CID 89306006
2-Ethyl-3-fluoro-5-methoxycyclohexa-1,3-diene
CID 89394958
5-Fluoro-2-(propan-2-yloxymethyl)cyclohexa-1,3-diene
CID 89420002
5-Fluoro-2-(methoxymethyl)cyclohexa-1,3-diene
CID 117790550
(3E)-6-(ethoxymethyl)-4-fluorohepta-1,3,6-triene
CID 118190307
5-Fluoro-2-(1-methoxyethyl)cyclohexa-1,3-diene
CID 123170743
2-(1-Fluoroethoxy)-5-methylhexa-1,3,5-triene
CID 123750418
5-(2-Fluoroethoxy)-2-methylcyclohexa-1,3-diene
CID 126554345

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene?
The IUPAC name of (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene (CID 146433793) is (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene.
What is the SMILES notation for (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene?
The canonical SMILES for (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene is C=C/C(F)=C\C(=C)COC.
What is the InChIKey of (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene?
The InChIKey is TVKNHPWBNTUUSL-VMPITWQZSA-N. The full InChI is InChI=1S/C8H11FO/c1-4-8(9)5-7(2)6-10-3/h4-5H,1-2,6H2,3H3/b8-5+.
What are the key properties of (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene?
(3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene has a molecular weight of 142.17 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2-(methoxymethyl)hexa-1,3,5-triene is sourced from PubChem (CID 146433793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).