2-(2,2,2-trifluoroethoxymethyl)dec-1-ene

C13H23F3O — CID 10879589

IUPAC2-(2,2,2-trifluoroethoxymethyl)dec-1-ene
SMILESC=C(CCCCCCCC)COCC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h2-11H2,1H3
InChIKeyMFSPIVODYHTNNO-UHFFFAOYSA-N
MW252.32 g/mol
LogP4.87
Rot. Bonds10

About 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene

2-(2,2,2-trifluoroethoxymethyl)dec-1-ene (PubChem CID 10879589) has the molecular formula C13H23F3O and a molecular weight of 252.32 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxymethyl)dec-1-ene
PubChem CID10879589
Molecular FormulaC13H23F3O
Molecular Weight252.32 g/mol
Exact Mass252.17
IUPAC Name2-(2,2,2-trifluoroethoxymethyl)dec-1-ene
SMILESC=C(CCCCCCCC)COCC(F)(F)F
InChIInChI=1S/C13H23F3O/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h2-11H2,1H3
InChIKeyMFSPIVODYHTNNO-UHFFFAOYSA-N
XLogP4.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 54.87
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'}

Analyze 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene?
The IUPAC name of 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene (CID 10879589) is 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene?
The canonical SMILES for 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene is C=C(CCCCCCCC)COCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene?
The InChIKey is MFSPIVODYHTNNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23F3O/c1-3-4-5-6-7-8-9-12(2)10-17-11-13(14,15)16/h2-11H2,1H3.
What are the key properties of 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene?
2-(2,2,2-trifluoroethoxymethyl)dec-1-ene has a molecular weight of 252.32 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxymethyl)dec-1-ene is sourced from PubChem (CID 10879589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).