(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene

C10H14F2O — CID 139457574

IUPAC(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
SMILESC=C/C=C(OC(F)F)\C(=C/C)CC
InChIInChI=1S/C10H14F2O/c1-4-7-9(13-10(11)12)8(5-2)6-3/h4-5,7,10H,1,6H2,2-3H3/b8-5-,9-7+
InChIKeySPOSYUZENCSIQY-ANVCMGODSA-N
MW188.22 g/mol
LogP3.65
Rot. Bonds5

About (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene

(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene (PubChem CID 139457574) has the molecular formula C10H14F2O and a molecular weight of 188.22 g/mol. Its IUPAC name is (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
PubChem CID139457574
Molecular FormulaC10H14F2O
Molecular Weight188.22 g/mol
Exact Mass188.10
IUPAC Name(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene
SMILESC=C/C=C(OC(F)F)\C(=C/C)CC
InChIInChI=1S/C10H14F2O/c1-4-7-9(13-10(11)12)8(5-2)6-3/h4-5,7,10H,1,6H2,2-3H3/b8-5-,9-7+
InChIKeySPOSYUZENCSIQY-ANVCMGODSA-N
XLogP3.65
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 ≤ 53.65
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 (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene?
The IUPAC name of (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene (CID 139457574) is (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene.
What is the SMILES notation for (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene?
The canonical SMILES for (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene is C=C/C=C(OC(F)F)\C(=C/C)CC.
What is the InChIKey of (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene?
The InChIKey is SPOSYUZENCSIQY-ANVCMGODSA-N. The full InChI is InChI=1S/C10H14F2O/c1-4-7-9(13-10(11)12)8(5-2)6-3/h4-5,7,10H,1,6H2,2-3H3/b8-5-,9-7+.
What are the key properties of (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene?
(3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene has a molecular weight of 188.22 g/mol, XLogP of 3.65, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E,5Z)-4-(difluoromethoxy)-5-ethylhepta-1,3,5-triene is sourced from PubChem (CID 139457574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).