(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene

C11H17F3O — CID 71569631

IUPAC(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene
SMILESC/C=C/C(CCCC)O/C=C/C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-3-5-7-10(6-4-2)15-9-8-11(12,13)14/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+,9-8+
InChIKeyUQZUVUFUVNWWMI-ICNYKPIKSA-N
MW222.25 g/mol
LogP4.21
Rot. Bonds6

About (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene

(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene (PubChem CID 71569631) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene.

Molecular Properties

Compound Name(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene
PubChem CID71569631
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene
SMILESC/C=C/C(CCCC)O/C=C/C(F)(F)F
InChIInChI=1S/C11H17F3O/c1-3-5-7-10(6-4-2)15-9-8-11(12,13)14/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+,9-8+
InChIKeyUQZUVUFUVNWWMI-ICNYKPIKSA-N
XLogP4.21
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 ≤ 54.21
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

(E)-4-ethenoxyoct-2-ene
CID 12163450
(E)-4-(3,3,3-trifluoroprop-1-enoxy)oct-2-ene
CID 140223049
3,3,4,4,5,5,6-Heptafluoro-6-propan-2-yloxycyclohexene
CID 141552335
(3Z,8E)-10,10-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
CID 144515517
(3Z,8E)-11,11-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
CID 144515538
(3Z,8E)-12,12-difluoro-7-methoxy-3-methyl-1-oxacyclotetradeca-3,8-diene
CID 144515546
(7E,12Z)-3,3-difluoro-9-methoxy-13-methyl-1-oxacyclotetradeca-7,12-diene
CID 144515566
1-[(E)-but-2-enoxy]-2,3,3,4,4,5,5-heptafluorocyclopentene
CID 161722061
6-methyl-5-[(2E)-3-(2,2,2-trifluoroethoxymethyl)hexa-2,5-dienyl]-3,4-dihydro-2H-pyran
CID 166655114
(Z)-7,7-difluoro-4-methoxyhept-2-ene
CID 166734987
(2S)-2-(difluoromethyl)-5-ethenyl-6-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 168199840
3-(Trifluoromethoxy)cyclohexene
CID 173601764

Frequently Asked Questions

What is the IUPAC name of (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene?
The IUPAC name of (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene (CID 71569631) is (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene.
What is the SMILES notation for (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene?
The canonical SMILES for (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene is C/C=C/C(CCCC)O/C=C/C(F)(F)F.
What is the InChIKey of (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene?
The InChIKey is UQZUVUFUVNWWMI-ICNYKPIKSA-N. The full InChI is InChI=1S/C11H17F3O/c1-3-5-7-10(6-4-2)15-9-8-11(12,13)14/h4,6,8-10H,3,5,7H2,1-2H3/b6-4+,9-8+.
What are the key properties of (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene?
(E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene has a molecular weight of 222.25 g/mol, XLogP of 4.21, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-4-[(E)-3,3,3-trifluoroprop-1-enoxy]oct-2-ene is sourced from PubChem (CID 71569631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).