1-(1,1,2-trifluoroethoxymethoxy)pentane

C8H15F3O2 — CID 20675044

IUPAC1-(1,1,2-trifluoroethoxymethoxy)pentane
SMILESCCCCCOCOC(F)(F)CF
InChIInChI=1S/C8H15F3O2/c1-2-3-4-5-12-7-13-8(10,11)6-9/h2-7H2,1H3
InChIKeyCUODHPSMNMTWLI-UHFFFAOYSA-N
MW200.20 g/mol
LogP2.73
Rot. Bonds8

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

1-(1,1,2-trifluoroethoxymethoxy)pentane (PubChem CID 20675044) has the molecular formula C8H15F3O2 and a molecular weight of 200.20 g/mol. Its IUPAC name is 1-(1,1,2-trifluoroethoxymethoxy)pentane.

Molecular Properties

Compound Name1-(1,1,2-trifluoroethoxymethoxy)pentane
PubChem CID20675044
Molecular FormulaC8H15F3O2
Molecular Weight200.20 g/mol
Exact Mass200.10
IUPAC Name1-(1,1,2-trifluoroethoxymethoxy)pentane
SMILESCCCCCOCOC(F)(F)CF
InChIInChI=1S/C8H15F3O2/c1-2-3-4-5-12-7-13-8(10,11)6-9/h2-7H2,1H3
InChIKeyCUODHPSMNMTWLI-UHFFFAOYSA-N
XLogP2.73
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,2-trifluoroethoxymethoxy)pentane?
The IUPAC name of 1-(1,1,2-trifluoroethoxymethoxy)pentane (CID 20675044) is 1-(1,1,2-trifluoroethoxymethoxy)pentane.
What is the SMILES notation for 1-(1,1,2-trifluoroethoxymethoxy)pentane?
The canonical SMILES for 1-(1,1,2-trifluoroethoxymethoxy)pentane is CCCCCOCOC(F)(F)CF.
What is the InChIKey of 1-(1,1,2-trifluoroethoxymethoxy)pentane?
The InChIKey is CUODHPSMNMTWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O2/c1-2-3-4-5-12-7-13-8(10,11)6-9/h2-7H2,1H3.
What are the key properties of 1-(1,1,2-trifluoroethoxymethoxy)pentane?
1-(1,1,2-trifluoroethoxymethoxy)pentane has a molecular weight of 200.20 g/mol, XLogP of 2.73, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,2-trifluoroethoxymethoxy)pentane is sourced from PubChem (CID 20675044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).