(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene

C8H10F2O — CID 126490157

IUPAC(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(\F)COC
InChIInChI=1S/C8H10F2O/c1-3-4-7(9)5-8(10)6-11-2/h3-5H,1,6H2,2H3/b7-4+,8-5+
InChIKeyMXKXMDUGHAZPHK-NSLJXJERSA-N
MW160.16 g/mol
LogP2.53
Rot. Bonds4

About (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene

(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene (PubChem CID 126490157) has the molecular formula C8H10F2O and a molecular weight of 160.16 g/mol. Its IUPAC name is (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene
PubChem CID126490157
Molecular FormulaC8H10F2O
Molecular Weight160.16 g/mol
Exact Mass160.07
IUPAC Name(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene
SMILESC=C/C=C(F)\C=C(\F)COC
InChIInChI=1S/C8H10F2O/c1-3-4-7(9)5-8(10)6-11-2/h3-5H,1,6H2,2H3/b7-4+,8-5+
InChIKeyMXKXMDUGHAZPHK-NSLJXJERSA-N
XLogP2.53
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.16
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene?
The IUPAC name of (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene (CID 126490157) is (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene.
What is the SMILES notation for (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene?
The canonical SMILES for (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene is C=C/C=C(F)\C=C(\F)COC.
What is the InChIKey of (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene?
The InChIKey is MXKXMDUGHAZPHK-NSLJXJERSA-N. The full InChI is InChI=1S/C8H10F2O/c1-3-4-7(9)5-8(10)6-11-2/h3-5H,1,6H2,2H3/b7-4+,8-5+.
What are the key properties of (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene?
(3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene has a molecular weight of 160.16 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5E)-4,6-difluoro-7-methoxyhepta-1,3,5-triene is sourced from PubChem (CID 126490157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).