(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene

C10H13F3O — CID 143502353

IUPAC(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene
SMILESC=C/C(F)=C(\C=C(/C)CC)OC(F)F
InChIInChI=1S/C10H13F3O/c1-4-7(3)6-9(8(11)5-2)14-10(12)13/h5-6,10H,2,4H2,1,3H3/b7-6+,9-8-
InChIKeyRUBHGFOUVDWEQF-MUIOLIGRSA-N
MW206.21 g/mol
LogP3.95
Rot. Bonds5

About (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene

(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene (PubChem CID 143502353) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene
PubChem CID143502353
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene
SMILESC=C/C(F)=C(\C=C(/C)CC)OC(F)F
InChIInChI=1S/C10H13F3O/c1-4-7(3)6-9(8(11)5-2)14-10(12)13/h5-6,10H,2,4H2,1,3H3/b7-6+,9-8-
InChIKeyRUBHGFOUVDWEQF-MUIOLIGRSA-N
XLogP3.95
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 53.95
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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Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene?
The IUPAC name of (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene (CID 143502353) is (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene is C=C/C(F)=C(\C=C(/C)CC)OC(F)F.
What is the InChIKey of (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene?
The InChIKey is RUBHGFOUVDWEQF-MUIOLIGRSA-N. The full InChI is InChI=1S/C10H13F3O/c1-4-7(3)6-9(8(11)5-2)14-10(12)13/h5-6,10H,2,4H2,1,3H3/b7-6+,9-8-.
What are the key properties of (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene?
(3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene has a molecular weight of 206.21 g/mol, XLogP of 3.95, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-4-(difluoromethoxy)-3-fluoro-6-methylocta-1,3,5-triene is sourced from PubChem (CID 143502353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).