2-(4,4,4-trifluorobutoxy)oxane

C9H15F3O2 — CID 54120542

IUPAC2-(4,4,4-trifluorobutoxy)oxane
SMILESFC(F)(F)CCCOC1CCCCO1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h8H,1-7H2
InChIKeyRRJDCDYNRDYXKE-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.87
Rot. Bonds4

About 2-(4,4,4-trifluorobutoxy)oxane

2-(4,4,4-trifluorobutoxy)oxane (PubChem CID 54120542) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(4,4,4-trifluorobutoxy)oxane.

Molecular Properties

Compound Name2-(4,4,4-trifluorobutoxy)oxane
PubChem CID54120542
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-(4,4,4-trifluorobutoxy)oxane
SMILESFC(F)(F)CCCOC1CCCCO1
InChIInChI=1S/C9H15F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h8H,1-7H2
InChIKeyRRJDCDYNRDYXKE-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4,4-trifluorobutoxy)oxane?
The IUPAC name of 2-(4,4,4-trifluorobutoxy)oxane (CID 54120542) is 2-(4,4,4-trifluorobutoxy)oxane.
What is the SMILES notation for 2-(4,4,4-trifluorobutoxy)oxane?
The canonical SMILES for 2-(4,4,4-trifluorobutoxy)oxane is FC(F)(F)CCCOC1CCCCO1.
What is the InChIKey of 2-(4,4,4-trifluorobutoxy)oxane?
The InChIKey is RRJDCDYNRDYXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c10-9(11,12)5-3-7-14-8-4-1-2-6-13-8/h8H,1-7H2.
What are the key properties of 2-(4,4,4-trifluorobutoxy)oxane?
2-(4,4,4-trifluorobutoxy)oxane has a molecular weight of 212.21 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4,4-trifluorobutoxy)oxane is sourced from PubChem (CID 54120542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).