1,1-diethoxy-2-(trifluoromethyl)pent-1-ene

C10H17F3O2 — CID 131728020

IUPAC1,1-diethoxy-2-(trifluoromethyl)pent-1-ene
SMILESCCCC(=C(OCC)OCC)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-4-7-8(10(11,12)13)9(14-5-2)15-6-3/h4-7H2,1-3H3
InChIKeyUVIJMESDQMPSLI-UHFFFAOYSA-N
MW226.24 g/mol
LogP3.63
Rot. Bonds6

About 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene

1,1-diethoxy-2-(trifluoromethyl)pent-1-ene (PubChem CID 131728020) has the molecular formula C10H17F3O2 and a molecular weight of 226.24 g/mol. Its IUPAC name is 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene.

Molecular Properties

Compound Name1,1-diethoxy-2-(trifluoromethyl)pent-1-ene
PubChem CID131728020
Molecular FormulaC10H17F3O2
Molecular Weight226.24 g/mol
Exact Mass226.12
IUPAC Name1,1-diethoxy-2-(trifluoromethyl)pent-1-ene
SMILESCCCC(=C(OCC)OCC)C(F)(F)F
InChIInChI=1S/C10H17F3O2/c1-4-7-8(10(11,12)13)9(14-5-2)15-6-3/h4-7H2,1-3H3
InChIKeyUVIJMESDQMPSLI-UHFFFAOYSA-N
XLogP3.63
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene?
The IUPAC name of 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene (CID 131728020) is 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene.
What is the SMILES notation for 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene?
The canonical SMILES for 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene is CCCC(=C(OCC)OCC)C(F)(F)F.
What is the InChIKey of 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene?
The InChIKey is UVIJMESDQMPSLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F3O2/c1-4-7-8(10(11,12)13)9(14-5-2)15-6-3/h4-7H2,1-3H3.
What are the key properties of 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene?
1,1-diethoxy-2-(trifluoromethyl)pent-1-ene has a molecular weight of 226.24 g/mol, XLogP of 3.63, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethoxy-2-(trifluoromethyl)pent-1-ene is sourced from PubChem (CID 131728020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).