(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol

C10H13F3O2 — CID 144707366

IUPAC(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/OC(F)(F)F)CCCO
InChIInChI=1S/C10H13F3O2/c1-2-9(5-3-7-14)6-4-8-15-10(11,12)13/h2,4,6,8,14H,1,3,5,7H2/b8-4-,9-6+
InChIKeyQWOZJALQPGVGIH-NDFHIPMUSA-N
MW222.21 g/mol
LogP2.92
Rot. Bonds6

About (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol

(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol (PubChem CID 144707366) has the molecular formula C10H13F3O2 and a molecular weight of 222.21 g/mol. Its IUPAC name is (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol.

Molecular Properties

Compound Name(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol
PubChem CID144707366
Molecular FormulaC10H13F3O2
Molecular Weight222.21 g/mol
Exact Mass222.09
IUPAC Name(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol
SMILESC=C/C(=C\C=C/OC(F)(F)F)CCCO
InChIInChI=1S/C10H13F3O2/c1-2-9(5-3-7-14)6-4-8-15-10(11,12)13/h2,4,6,8,14H,1,3,5,7H2/b8-4-,9-6+
InChIKeyQWOZJALQPGVGIH-NDFHIPMUSA-N
XLogP2.92
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.21
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol?
The IUPAC name of (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol (CID 144707366) is (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol.
What is the SMILES notation for (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol?
The canonical SMILES for (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol is C=C/C(=C\C=C/OC(F)(F)F)CCCO.
What is the InChIKey of (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol?
The InChIKey is QWOZJALQPGVGIH-NDFHIPMUSA-N. The full InChI is InChI=1S/C10H13F3O2/c1-2-9(5-3-7-14)6-4-8-15-10(11,12)13/h2,4,6,8,14H,1,3,5,7H2/b8-4-,9-6+.
What are the key properties of (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol?
(4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol has a molecular weight of 222.21 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z,6Z)-4-ethenyl-7-(trifluoromethoxy)hepta-4,6-dien-1-ol is sourced from PubChem (CID 144707366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).