1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane

C10H19F3O2 — CID 89060149

IUPAC1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane
SMILESCC(C)COCCCCCOC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-9(2)8-14-6-4-3-5-7-15-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyMUJISDYTFYWJAM-UHFFFAOYSA-N
MW228.25 g/mol
LogP3.37
Rot. Bonds8

About 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane

1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane (PubChem CID 89060149) has the molecular formula C10H19F3O2 and a molecular weight of 228.25 g/mol. Its IUPAC name is 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane.

Molecular Properties

Compound Name1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane
PubChem CID89060149
Molecular FormulaC10H19F3O2
Molecular Weight228.25 g/mol
Exact Mass228.13
IUPAC Name1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane
SMILESCC(C)COCCCCCOC(F)(F)F
InChIInChI=1S/C10H19F3O2/c1-9(2)8-14-6-4-3-5-7-15-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyMUJISDYTFYWJAM-UHFFFAOYSA-N
XLogP3.37
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane 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 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane?
The IUPAC name of 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane (CID 89060149) is 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane.
What is the SMILES notation for 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane?
The canonical SMILES for 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane is CC(C)COCCCCCOC(F)(F)F.
What is the InChIKey of 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane?
The InChIKey is MUJISDYTFYWJAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O2/c1-9(2)8-14-6-4-3-5-7-15-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane?
1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane has a molecular weight of 228.25 g/mol, XLogP of 3.37, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropoxy)-5-(trifluoromethoxy)pentane is sourced from PubChem (CID 89060149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).