(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene

C7H8F2O — CID 145066149

IUPAC(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
SMILESC=C(/C=C(/F)C(=C)F)OC
InChIInChI=1S/C7H8F2O/c1-5(10-3)4-7(9)6(2)8/h4H,1-2H2,3H3/b7-4+
InChIKeyYMISTSLKCOAYPQ-QPJJXVBHSA-N
MW146.14 g/mol
LogP2.48
Rot. Bonds3

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

(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene (PubChem CID 145066149) has the molecular formula C7H8F2O and a molecular weight of 146.14 g/mol. Its IUPAC name is (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene.

Molecular Properties

Compound Name(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
PubChem CID145066149
Molecular FormulaC7H8F2O
Molecular Weight146.14 g/mol
Exact Mass146.05
IUPAC Name(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene
SMILESC=C(/C=C(/F)C(=C)F)OC
InChIInChI=1S/C7H8F2O/c1-5(10-3)4-7(9)6(2)8/h4H,1-2H2,3H3/b7-4+
InChIKeyYMISTSLKCOAYPQ-QPJJXVBHSA-N
XLogP2.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.14
LogP ≤ 52.48
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)-4-fluoro-2-methoxyhexa-1,3,5-triene
CID 143875376
(3E)-3-fluoro-5-methoxy-2-(trifluoromethoxy)hexa-1,3,5-triene
CID 177209308
2,4-dimethoxypenta-1,3-diene
CID 90861204
(3E)-2,3-difluoro-5-methylhexa-1,3,5-triene;ethane
CID 143383113
N-[(2Z)-4-methoxypenta-2,4-dien-2-yl]methanimine
CID 156714992
(3Z)-3-tert-butyl-5-methoxyhexa-1,3,5-trien-2-ol
CID 143504031
(3E)-2,3-difluoro-5-methylidenehepta-1,3-diene
CID 142945501
4-methoxy-2-methylpenta-2,4-dienal
CID 123705990
2,4-dimethoxy-5-methylidenehepta-1,3-diene
CID 123258138
(3E)-3-fluoro-2-methoxy-5-methylhexa-1,3,5-triene;propane
CID 143383116
(3E,7E)-7-fluoro-2-methoxy-4-(methoxymethyl)-9-methyl-5,6-dimethylidenedeca-1,3,7,9-tetraene;2-methylprop-2-enal
CID 145122260
(3E)-3,5-dimethoxy-2-methylidenehexa-3,5-dien-1-amine;ethane
CID 142423701

Frequently Asked Questions

What is the IUPAC name of (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene?
The IUPAC name of (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene (CID 145066149) is (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene.
What is the SMILES notation for (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene?
The canonical SMILES for (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene is C=C(/C=C(/F)C(=C)F)OC.
What is the InChIKey of (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene?
The InChIKey is YMISTSLKCOAYPQ-QPJJXVBHSA-N. The full InChI is InChI=1S/C7H8F2O/c1-5(10-3)4-7(9)6(2)8/h4H,1-2H2,3H3/b7-4+.
What are the key properties of (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene?
(3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene has a molecular weight of 146.14 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-2,3-difluoro-5-methoxyhexa-1,3,5-triene is sourced from PubChem (CID 145066149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).