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

C7H9FO — CID 143875376

IUPAC(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
SMILESC=C/C(F)=C\C(=C)OC
InChIInChI=1S/C7H9FO/c1-4-7(8)5-6(2)9-3/h4-5H,1-2H2,3H3/b7-5+
InChIKeyFHOFILVEECHFSU-FNORWQNLSA-N
MW128.15 g/mol
LogP2.19
Rot. Bonds3

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

(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene (PubChem CID 143875376) has the molecular formula C7H9FO and a molecular weight of 128.15 g/mol. Its IUPAC name is (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
PubChem CID143875376
Molecular FormulaC7H9FO
Molecular Weight128.15 g/mol
Exact Mass128.06
IUPAC Name(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene
SMILESC=C/C(F)=C\C(=C)OC
InChIInChI=1S/C7H9FO/c1-4-7(8)5-6(2)9-3/h4-5H,1-2H2,3H3/b7-5+
InChIKeyFHOFILVEECHFSU-FNORWQNLSA-N
XLogP2.19
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.15
LogP ≤ 52.19
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

(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
CID 145066149
2,4-dimethoxypenta-1,3-diene
CID 90861204
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
(3E,5E)-3-fluoro-5-prop-1-en-2-ylhepta-1,3,5-triene
CID 166713721
(3E)-3-fluoro-5-methoxy-2-(trifluoromethoxy)hexa-1,3,5-triene
CID 177209308
(1Z)-2-fluoro-N-methylbuta-1,3-dien-1-amine
CID 143572818
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
(3E,5Z)-4-tert-butyl-2-methoxyocta-1,3,5,7-tetraene
CID 130337292
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138
(3E,5E)-3-fluoro-6-methoxynona-1,3,5-triene
CID 155185239
2-fluorobuta-1,3-diene
CID 551655

Frequently Asked Questions

What is the IUPAC name of (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene?
The IUPAC name of (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene (CID 143875376) is (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene.
What is the SMILES notation for (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene?
The canonical SMILES for (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene is C=C/C(F)=C\C(=C)OC.
What is the InChIKey of (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene?
The InChIKey is FHOFILVEECHFSU-FNORWQNLSA-N. The full InChI is InChI=1S/C7H9FO/c1-4-7(8)5-6(2)9-3/h4-5H,1-2H2,3H3/b7-5+.
What are the key properties of (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene?
(3E)-4-fluoro-2-methoxyhexa-1,3,5-triene has a molecular weight of 128.15 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-4-fluoro-2-methoxyhexa-1,3,5-triene is sourced from PubChem (CID 143875376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).