(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene

C10H14F2O — CID 144673111

IUPAC(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C(/C)OCC(F)F
InChIInChI=1S/C10H14F2O/c1-4-5-8(2)6-9(3)13-7-10(11)12/h4-6,10H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyYOIFXORUJFFJIE-LDFAFZTOSA-N
MW188.22 g/mol
LogP3.30
Rot. Bonds5

About (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene

(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene (PubChem CID 144673111) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
PubChem CID144673111
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene
SMILESC=C/C=C(C)\C=C(/C)OCC(F)F
InChIInChI=1S/C10H14F2O/c1-4-5-8(2)6-9(3)13-7-10(11)12/h4-6,10H,1,7H2,2-3H3/b8-5-,9-6+
InChIKeyYOIFXORUJFFJIE-LDFAFZTOSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.22
LogP ≤ 53.30
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)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene (CID 144673111) is (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene is C=C/C=C(C)\C=C(/C)OCC(F)F.
What is the InChIKey of (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene?
The InChIKey is YOIFXORUJFFJIE-LDFAFZTOSA-N. The full InChI is InChI=1S/C10H14F2O/c1-4-5-8(2)6-9(3)13-7-10(11)12/h4-6,10H,1,7H2,2-3H3/b8-5-,9-6+.
What are the key properties of (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene?
(3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene has a molecular weight of 188.22 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-6-(2,2-difluoroethoxy)-4-methylhepta-1,3,5-triene is sourced from PubChem (CID 144673111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).