(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene

C12H21F3O — CID 138741811

IUPAC(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene
SMILESCCCCCC/C=C/CCOCC(F)(F)F
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-16-11-12(13,14)15/h7-8H,2-6,9-11H2,1H3/b8-7+
InChIKeyJDCLSRMPGJRZHL-BQYQJAHWSA-N
MW238.29 g/mol
LogP4.48
Rot. Bonds9

About (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene

(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene (PubChem CID 138741811) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene.

Molecular Properties

Compound Name(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene
PubChem CID138741811
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene
SMILESCCCCCC/C=C/CCOCC(F)(F)F
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-16-11-12(13,14)15/h7-8H,2-6,9-11H2,1H3/b8-7+
InChIKeyJDCLSRMPGJRZHL-BQYQJAHWSA-N
XLogP4.48
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.48
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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Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene?
The IUPAC name of (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene (CID 138741811) is (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene.
What is the SMILES notation for (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene?
The canonical SMILES for (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene is CCCCCC/C=C/CCOCC(F)(F)F.
What is the InChIKey of (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene?
The InChIKey is JDCLSRMPGJRZHL-BQYQJAHWSA-N. The full InChI is InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-8-9-10-16-11-12(13,14)15/h7-8H,2-6,9-11H2,1H3/b8-7+.
What are the key properties of (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene?
(E)-1-(2,2,2-trifluoroethoxy)dec-3-ene has a molecular weight of 238.29 g/mol, XLogP of 4.48, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,2,2-trifluoroethoxy)dec-3-ene is sourced from PubChem (CID 138741811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).