(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene

C10H16BrF3O — CID 134996144

IUPAC(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene
SMILESCCCCC/C(Br)=C(/OCC)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-3-5-6-7-8(11)9(15-4-2)10(12,13)14/h3-7H2,1-2H3/b9-8-
InChIKeyXDDRPIQTIKRUBF-HJWRWDBZSA-N
MW289.13 g/mol
LogP4.77
Rot. Bonds6

About (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene

(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene (PubChem CID 134996144) has the molecular formula C10H16BrF3O and a molecular weight of 289.13 g/mol. Its IUPAC name is (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene.

Molecular Properties

Compound Name(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene
PubChem CID134996144
Molecular FormulaC10H16BrF3O
Molecular Weight289.13 g/mol
Exact Mass288.03
IUPAC Name(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene
SMILESCCCCC/C(Br)=C(/OCC)C(F)(F)F
InChIInChI=1S/C10H16BrF3O/c1-3-5-6-7-8(11)9(15-4-2)10(12,13)14/h3-7H2,1-2H3/b9-8-
InChIKeyXDDRPIQTIKRUBF-HJWRWDBZSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.13
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene
CID 10979588

Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene?
The IUPAC name of (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene (CID 134996144) is (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene.
What is the SMILES notation for (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene?
The canonical SMILES for (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene is CCCCC/C(Br)=C(/OCC)C(F)(F)F.
What is the InChIKey of (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene?
The InChIKey is XDDRPIQTIKRUBF-HJWRWDBZSA-N. The full InChI is InChI=1S/C10H16BrF3O/c1-3-5-6-7-8(11)9(15-4-2)10(12,13)14/h3-7H2,1-2H3/b9-8-.
What are the key properties of (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene?
(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene has a molecular weight of 289.13 g/mol, XLogP of 4.77, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene is sourced from PubChem (CID 134996144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).