2-heptyl-5-(trifluoromethyl)oxolane

C12H21F3O — CID 11031936

IUPAC2-heptyl-5-(trifluoromethyl)oxolane
SMILESCCCCCCCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-10-8-9-11(16-10)12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyFSIITELRAATDOV-UHFFFAOYSA-N
MW238.29 g/mol
LogP4.46
Rot. Bonds6

About 2-heptyl-5-(trifluoromethyl)oxolane

2-heptyl-5-(trifluoromethyl)oxolane (PubChem CID 11031936) has the molecular formula C12H21F3O and a molecular weight of 238.29 g/mol. Its IUPAC name is 2-heptyl-5-(trifluoromethyl)oxolane.

Molecular Properties

Compound Name2-heptyl-5-(trifluoromethyl)oxolane
PubChem CID11031936
Molecular FormulaC12H21F3O
Molecular Weight238.29 g/mol
Exact Mass238.15
IUPAC Name2-heptyl-5-(trifluoromethyl)oxolane
SMILESCCCCCCCC1CCC(C(F)(F)F)O1
InChIInChI=1S/C12H21F3O/c1-2-3-4-5-6-7-10-8-9-11(16-10)12(13,14)15/h10-11H,2-9H2,1H3
InChIKeyFSIITELRAATDOV-UHFFFAOYSA-N
XLogP4.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-heptyl-5-(trifluoromethyl)oxolane 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-heptyl-5-(trifluoromethyl)oxolane?
The IUPAC name of 2-heptyl-5-(trifluoromethyl)oxolane (CID 11031936) is 2-heptyl-5-(trifluoromethyl)oxolane.
What is the SMILES notation for 2-heptyl-5-(trifluoromethyl)oxolane?
The canonical SMILES for 2-heptyl-5-(trifluoromethyl)oxolane is CCCCCCCC1CCC(C(F)(F)F)O1.
What is the InChIKey of 2-heptyl-5-(trifluoromethyl)oxolane?
The InChIKey is FSIITELRAATDOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3O/c1-2-3-4-5-6-7-10-8-9-11(16-10)12(13,14)15/h10-11H,2-9H2,1H3.
What are the key properties of 2-heptyl-5-(trifluoromethyl)oxolane?
2-heptyl-5-(trifluoromethyl)oxolane has a molecular weight of 238.29 g/mol, XLogP of 4.46, 6 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-heptyl-5-(trifluoromethyl)oxolane is sourced from PubChem (CID 11031936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).