(5Z)-2-(trifluoromethoxy)hepta-1,5-diene

C8H11F3O — CID 88957406

IUPAC(5Z)-2-(trifluoromethoxy)hepta-1,5-diene
SMILESC=C(CC/C=C\C)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-4-5-6-7(2)12-8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyUESIQTSVESZFCQ-ARJAWSKDSA-N
MW180.17 g/mol
LogP3.39
Rot. Bonds4

About (5Z)-2-(trifluoromethoxy)hepta-1,5-diene

(5Z)-2-(trifluoromethoxy)hepta-1,5-diene (PubChem CID 88957406) has the molecular formula C8H11F3O and a molecular weight of 180.17 g/mol. Its IUPAC name is (5Z)-2-(trifluoromethoxy)hepta-1,5-diene.

Molecular Properties

Compound Name(5Z)-2-(trifluoromethoxy)hepta-1,5-diene
PubChem CID88957406
Molecular FormulaC8H11F3O
Molecular Weight180.17 g/mol
Exact Mass180.08
IUPAC Name(5Z)-2-(trifluoromethoxy)hepta-1,5-diene
SMILESC=C(CC/C=C\C)OC(F)(F)F
InChIInChI=1S/C8H11F3O/c1-3-4-5-6-7(2)12-8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3-
InChIKeyUESIQTSVESZFCQ-ARJAWSKDSA-N
XLogP3.39
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.17
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5Z)-2-(trifluoromethoxy)hepta-1,5-diene?
The IUPAC name of (5Z)-2-(trifluoromethoxy)hepta-1,5-diene (CID 88957406) is (5Z)-2-(trifluoromethoxy)hepta-1,5-diene.
What is the SMILES notation for (5Z)-2-(trifluoromethoxy)hepta-1,5-diene?
The canonical SMILES for (5Z)-2-(trifluoromethoxy)hepta-1,5-diene is C=C(CC/C=C\C)OC(F)(F)F.
What is the InChIKey of (5Z)-2-(trifluoromethoxy)hepta-1,5-diene?
The InChIKey is UESIQTSVESZFCQ-ARJAWSKDSA-N. The full InChI is InChI=1S/C8H11F3O/c1-3-4-5-6-7(2)12-8(9,10)11/h3-4H,2,5-6H2,1H3/b4-3-.
What are the key properties of (5Z)-2-(trifluoromethoxy)hepta-1,5-diene?
(5Z)-2-(trifluoromethoxy)hepta-1,5-diene has a molecular weight of 180.17 g/mol, XLogP of 3.39, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-2-(trifluoromethoxy)hepta-1,5-diene is sourced from PubChem (CID 88957406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).