(E)-1,1,1-trifluoro-2-methoxydec-3-ene

C11H19F3O — CID 101245473

IUPAC(E)-1,1,1-trifluoro-2-methoxydec-3-ene
SMILESCCCCCC/C=C/C(OC)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-4-5-6-7-8-9-10(15-2)11(12,13)14/h8-10H,3-7H2,1-2H3/b9-8+
InChIKeyJAFOJOGPFUJRGA-CMDGGOBGSA-N
MW224.27 g/mol
LogP4.09
Rot. Bonds7

About (E)-1,1,1-trifluoro-2-methoxydec-3-ene

(E)-1,1,1-trifluoro-2-methoxydec-3-ene (PubChem CID 101245473) has the molecular formula C11H19F3O and a molecular weight of 224.27 g/mol. Its IUPAC name is (E)-1,1,1-trifluoro-2-methoxydec-3-ene.

Molecular Properties

Compound Name(E)-1,1,1-trifluoro-2-methoxydec-3-ene
PubChem CID101245473
Molecular FormulaC11H19F3O
Molecular Weight224.27 g/mol
Exact Mass224.14
IUPAC Name(E)-1,1,1-trifluoro-2-methoxydec-3-ene
SMILESCCCCCC/C=C/C(OC)C(F)(F)F
InChIInChI=1S/C11H19F3O/c1-3-4-5-6-7-8-9-10(15-2)11(12,13)14/h8-10H,3-7H2,1-2H3/b9-8+
InChIKeyJAFOJOGPFUJRGA-CMDGGOBGSA-N
XLogP4.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.27
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,1-dimethoxynon-2-ene
CID 71435649
(Z,2R)-1,1,1-trifluorodec-3-en-2-ol
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[(E)-1,1,1-trifluoroundec-3-en-2-yl] 4-hydroxybenzoate
CID 139725649
[(Z)-1,1,1-trifluorodec-3-en-2-yl] 4-hydroxybenzoate
CID 139725657
tetrakis[(E)-hept-1-enyl]phosphanium
CID 118306753
(E,2S,3R)-2-(ethylamino)-3-methoxyoctadec-4-en-1-ol
CID 121392060
nonacos-6-ene
CID 25200821
(E)-hexadec-6-ene
CID 5352260
(Z)-docos-9-ene
CID 11690102
(E)-hexacos-10-ene
CID 22172169
(E)-nonacos-10-ene
CID 14367300
(24Z)-hexatriaconta-9,24-diene
CID 173127472

Frequently Asked Questions

What is the IUPAC name of (E)-1,1,1-trifluoro-2-methoxydec-3-ene?
The IUPAC name of (E)-1,1,1-trifluoro-2-methoxydec-3-ene (CID 101245473) is (E)-1,1,1-trifluoro-2-methoxydec-3-ene.
What is the SMILES notation for (E)-1,1,1-trifluoro-2-methoxydec-3-ene?
The canonical SMILES for (E)-1,1,1-trifluoro-2-methoxydec-3-ene is CCCCCC/C=C/C(OC)C(F)(F)F.
What is the InChIKey of (E)-1,1,1-trifluoro-2-methoxydec-3-ene?
The InChIKey is JAFOJOGPFUJRGA-CMDGGOBGSA-N. The full InChI is InChI=1S/C11H19F3O/c1-3-4-5-6-7-8-9-10(15-2)11(12,13)14/h8-10H,3-7H2,1-2H3/b9-8+.
What are the key properties of (E)-1,1,1-trifluoro-2-methoxydec-3-ene?
(E)-1,1,1-trifluoro-2-methoxydec-3-ene has a molecular weight of 224.27 g/mol, XLogP of 4.09, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1,1,1-trifluoro-2-methoxydec-3-ene is sourced from PubChem (CID 101245473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).