1-(2,2,2-trifluoroethoxy)pentane

C7H13F3O — CID 12643281

IUPAC1-(2,2,2-trifluoroethoxy)pentane
SMILESCCCCCOCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3
InChIKeyZZFQDVGSZXGXDX-UHFFFAOYSA-N
MW170.17 g/mol
LogP2.76
Rot. Bonds5

About 1-(2,2,2-trifluoroethoxy)pentane

1-(2,2,2-trifluoroethoxy)pentane (PubChem CID 12643281) has the molecular formula C7H13F3O and a molecular weight of 170.17 g/mol. Its IUPAC name is 1-(2,2,2-trifluoroethoxy)pentane.

Molecular Properties

Compound Name1-(2,2,2-trifluoroethoxy)pentane
PubChem CID12643281
Molecular FormulaC7H13F3O
Molecular Weight170.17 g/mol
Exact Mass170.09
IUPAC Name1-(2,2,2-trifluoroethoxy)pentane
SMILESCCCCCOCC(F)(F)F
InChIInChI=1S/C7H13F3O/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3
InChIKeyZZFQDVGSZXGXDX-UHFFFAOYSA-N
XLogP2.76
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.17
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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-(2,2,2-trifluoroethoxy)pentane?
The IUPAC name of 1-(2,2,2-trifluoroethoxy)pentane (CID 12643281) is 1-(2,2,2-trifluoroethoxy)pentane.
What is the SMILES notation for 1-(2,2,2-trifluoroethoxy)pentane?
The canonical SMILES for 1-(2,2,2-trifluoroethoxy)pentane is CCCCCOCC(F)(F)F.
What is the InChIKey of 1-(2,2,2-trifluoroethoxy)pentane?
The InChIKey is ZZFQDVGSZXGXDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F3O/c1-2-3-4-5-11-6-7(8,9)10/h2-6H2,1H3.
What are the key properties of 1-(2,2,2-trifluoroethoxy)pentane?
1-(2,2,2-trifluoroethoxy)pentane has a molecular weight of 170.17 g/mol, XLogP of 2.76, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2,2-trifluoroethoxy)pentane is sourced from PubChem (CID 12643281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).