(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene

C11H17F3O — CID 144804758

IUPAC(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
SMILESC=CC(C/C=C(\C)OC(F)(F)F)CCC
InChIInChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7,10H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyXYUWLGJXDDKPEY-VQHVLOKHSA-N
MW222.25 g/mol
LogP4.42
Rot. Bonds6

About (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene

(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene (PubChem CID 144804758) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene.

Molecular Properties

Compound Name(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
PubChem CID144804758
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene
SMILESC=CC(C/C=C(\C)OC(F)(F)F)CCC
InChIInChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7,10H,2,4,6,8H2,1,3H3/b9-7+
InChIKeyXYUWLGJXDDKPEY-VQHVLOKHSA-N
XLogP4.42
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 54.42
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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Related Compounds

1-(2,2-Difluoropropoxy)-4-ethyl-5-methylhepta-1,3-diene
CID 90932075
2,3-Dimethyl-7-(2,2,2-trifluoroethoxy)undeca-1,6,9-triene
CID 91235536
8-Methyl-2-(trifluoromethoxy)nona-1,5-diene
CID 123239565
4,5-Dimethyl-2-(trifluoromethoxy)oct-2-ene
CID 123447482
(2E,4Z)-3,8-dimethyl-6-methylidene-2-(trifluoromethoxy)nona-2,4-diene
CID 143344039
(1E,6Z)-2-methyl-6-(2-methylpropyl)-1-(trifluoromethoxy)cyclonona-1,3,6-triene
CID 143346201
ethane;[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
CID 143346330
(2E,5E)-3-(difluoromethoxy)-6,8-dimethylnona-2,5-diene
CID 143346376
4-Methyl-1-(trifluoromethoxy)cyclohexene
CID 149544809
(6E)-7-methoxy-3-(trifluoromethyl)octa-1,6-diene
CID 155470349
(4S)-4-methyl-1-(trifluoromethoxy)cyclohexene
CID 164163696
[[(1E,6Z)-3-ethylcycloocta-1,6-dien-1-yl]oxy-difluoromethyl]phosphane
CID 143346331

Frequently Asked Questions

What is the IUPAC name of (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene?
The IUPAC name of (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene (CID 144804758) is (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene.
What is the SMILES notation for (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene?
The canonical SMILES for (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene is C=CC(C/C=C(\C)OC(F)(F)F)CCC.
What is the InChIKey of (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene?
The InChIKey is XYUWLGJXDDKPEY-VQHVLOKHSA-N. The full InChI is InChI=1S/C11H17F3O/c1-4-6-10(5-2)8-7-9(3)15-11(12,13)14/h5,7,10H,2,4,6,8H2,1,3H3/b9-7+.
What are the key properties of (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene?
(E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene has a molecular weight of 222.25 g/mol, XLogP of 4.42, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-5-ethenyl-2-(trifluoromethoxy)oct-2-ene is sourced from PubChem (CID 144804758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).