1-[2-(trifluoromethoxy)ethoxy]pentane

C8H15F3O2 — CID 10655629

IUPAC1-[2-(trifluoromethoxy)ethoxy]pentane
SMILESCCCCCOCCOC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2-7H2,1H3
InChIKeyUUDQPGTWPRUUEO-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.73
Rot. Bonds7

About 1-[2-(trifluoromethoxy)ethoxy]pentane

1-[2-(trifluoromethoxy)ethoxy]pentane (PubChem CID 10655629) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-[2-(trifluoromethoxy)ethoxy]pentane.

Molecular Properties

Compound Name1-[2-(trifluoromethoxy)ethoxy]pentane
PubChem CID10655629
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1-[2-(trifluoromethoxy)ethoxy]pentane
SMILESCCCCCOCCOC(F)(F)F
InChIInChI=1S/C8H15F3O2/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2-7H2,1H3
InChIKeyUUDQPGTWPRUUEO-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.20
LogP ≤ 52.73
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 1-[2-(trifluoromethoxy)ethoxy]pentane?
The IUPAC name of 1-[2-(trifluoromethoxy)ethoxy]pentane (CID 10655629) is 1-[2-(trifluoromethoxy)ethoxy]pentane.
What is the SMILES notation for 1-[2-(trifluoromethoxy)ethoxy]pentane?
The canonical SMILES for 1-[2-(trifluoromethoxy)ethoxy]pentane is CCCCCOCCOC(F)(F)F.
What is the InChIKey of 1-[2-(trifluoromethoxy)ethoxy]pentane?
The InChIKey is UUDQPGTWPRUUEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-2-3-4-5-12-6-7-13-8(9,10)11/h2-7H2,1H3.
What are the key properties of 1-[2-(trifluoromethoxy)ethoxy]pentane?
1-[2-(trifluoromethoxy)ethoxy]pentane has a molecular weight of 200.20 g/mol, XLogP of 2.73, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(trifluoromethoxy)ethoxy]pentane is sourced from PubChem (CID 10655629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).