2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane

C10H17F3O3 — CID 158078208

IUPAC2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane
SMILESCCCCOC1OC1C.FC(F)(F)C1CO1
InChIInChI=1S/C7H14O2.C3H3F3O/c1-3-4-5-8-7-6(2)9-7;4-3(5,6)2-1-7-2/h6-7H,3-5H2,1-2H3;2H,1H2
InChIKeyFMPYIFNYNUCDMA-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.50
Rot. Bonds4

About 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane

2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane (PubChem CID 158078208) has the molecular formula C10H17F3O3 and a molecular weight of 242.24 g/mol. Its IUPAC name is 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane.

Molecular Properties

Compound Name2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane
PubChem CID158078208
Molecular FormulaC10H17F3O3
Molecular Weight242.24 g/mol
Exact Mass242.11
IUPAC Name2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane
SMILESCCCCOC1OC1C.FC(F)(F)C1CO1
InChIInChI=1S/C7H14O2.C3H3F3O/c1-3-4-5-8-7-6(2)9-7;4-3(5,6)2-1-7-2/h6-7H,3-5H2,1-2H3;2H,1H2
InChIKeyFMPYIFNYNUCDMA-UHFFFAOYSA-N
XLogP2.50
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane 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-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane?
The IUPAC name of 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane (CID 158078208) is 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane.
What is the SMILES notation for 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane?
The canonical SMILES for 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane is CCCCOC1OC1C.FC(F)(F)C1CO1.
What is the InChIKey of 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane?
The InChIKey is FMPYIFNYNUCDMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2.C3H3F3O/c1-3-4-5-8-7-6(2)9-7;4-3(5,6)2-1-7-2/h6-7H,3-5H2,1-2H3;2H,1H2.
What are the key properties of 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane?
2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane has a molecular weight of 242.24 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butoxy-3-methyloxirane;2-(trifluoromethyl)oxirane is sourced from PubChem (CID 158078208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).