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

C11H18BrF3O — CID 10979588

IUPAC(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene
SMILESCCCCCC/C(Br)=C(/OCC)C(F)(F)F
InChIInChI=1S/C11H18BrF3O/c1-3-5-6-7-8-9(12)10(16-4-2)11(13,14)15/h3-8H2,1-2H3/b10-9-
InChIKeyKUVGVOQQXGMBPD-KTKRTIGZSA-N
MW303.16 g/mol
LogP5.16
Rot. Bonds7

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

(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene (PubChem CID 10979588) has the molecular formula C11H18BrF3O and a molecular weight of 303.16 g/mol. Its IUPAC name is (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene.

Molecular Properties

Compound Name(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene
PubChem CID10979588
Molecular FormulaC11H18BrF3O
Molecular Weight303.16 g/mol
Exact Mass302.05
IUPAC Name(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene
SMILESCCCCCC/C(Br)=C(/OCC)C(F)(F)F
InChIInChI=1S/C11H18BrF3O/c1-3-5-6-7-8-9(12)10(16-4-2)11(13,14)15/h3-8H2,1-2H3/b10-9-
InChIKeyKUVGVOQQXGMBPD-KTKRTIGZSA-N
XLogP5.16
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500303.16
LogP ≤ 55.16
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)-1-bromo-2-ethoxy-3,3,3-trifluoroprop-1-enyl]cyclohexane
CID 15398557
(Z)-3-bromo-2-ethoxy-1,1,1-trifluorooct-2-ene
CID 134996144

Frequently Asked Questions

What is the IUPAC name of (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene?
The IUPAC name of (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene (CID 10979588) is (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene.
What is the SMILES notation for (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene?
The canonical SMILES for (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene is CCCCCC/C(Br)=C(/OCC)C(F)(F)F.
What is the InChIKey of (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene?
The InChIKey is KUVGVOQQXGMBPD-KTKRTIGZSA-N. The full InChI is InChI=1S/C11H18BrF3O/c1-3-5-6-7-8-9(12)10(16-4-2)11(13,14)15/h3-8H2,1-2H3/b10-9-.
What are the key properties of (Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene?
(Z)-3-bromo-2-ethoxy-1,1,1-trifluoronon-2-ene has a molecular weight of 303.16 g/mol, XLogP of 5.16, 7 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-trifluoronon-2-ene is sourced from PubChem (CID 10979588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).