2-(2,2,2-trifluoroethoxy)octane

C10H19F3O — CID 12643285

IUPAC2-(2,2,2-trifluoroethoxy)octane
SMILESCCCCCCC(C)OCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-4-5-6-7-9(2)14-8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyNEHSLZLUJIPDPG-UHFFFAOYSA-N
MW212.25 g/mol
LogP3.92
Rot. Bonds7

About 2-(2,2,2-trifluoroethoxy)octane

2-(2,2,2-trifluoroethoxy)octane (PubChem CID 12643285) has the molecular formula C10H19F3O and a molecular weight of 212.25 g/mol. Its IUPAC name is 2-(2,2,2-trifluoroethoxy)octane.

Molecular Properties

Compound Name2-(2,2,2-trifluoroethoxy)octane
PubChem CID12643285
Molecular FormulaC10H19F3O
Molecular Weight212.25 g/mol
Exact Mass212.14
IUPAC Name2-(2,2,2-trifluoroethoxy)octane
SMILESCCCCCCC(C)OCC(F)(F)F
InChIInChI=1S/C10H19F3O/c1-3-4-5-6-7-9(2)14-8-10(11,12)13/h9H,3-8H2,1-2H3
InChIKeyNEHSLZLUJIPDPG-UHFFFAOYSA-N
XLogP3.92
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2,2,2-trifluoroethoxy)octane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Cyclododecane, propoxy-
CID 105765
Perfluorohexylethyl dimethylbutyl ether
CID 10874009
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-propoxyoctane
CID 44480567
1,1,1,2,2,3,3,4,4,5,5,6,6-Tridecafluoro-8-(pentyloxy)octane
CID 44480568
Ether, octyl 1,1,2,2-tetrafluoroethyl
CID 35451
(Trifluoromethyl)decyl ether
CID 11031559
2-Butoxyoctane
CID 10976213
Octane, 2-ethoxy-
CID 3375569
2-Ethoxydecane
CID 12838329
2-Fluoro-3-octyloxirane
CID 149804289
Isopropyl octyl ether
CID 15562510
Cyclododecane, ethoxy-
CID 11264326

Frequently Asked Questions

What is the IUPAC name of 2-(2,2,2-trifluoroethoxy)octane?
The IUPAC name of 2-(2,2,2-trifluoroethoxy)octane (CID 12643285) is 2-(2,2,2-trifluoroethoxy)octane.
What is the SMILES notation for 2-(2,2,2-trifluoroethoxy)octane?
The canonical SMILES for 2-(2,2,2-trifluoroethoxy)octane is CCCCCCC(C)OCC(F)(F)F.
What is the InChIKey of 2-(2,2,2-trifluoroethoxy)octane?
The InChIKey is NEHSLZLUJIPDPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O/c1-3-4-5-6-7-9(2)14-8-10(11,12)13/h9H,3-8H2,1-2H3.
What are the key properties of 2-(2,2,2-trifluoroethoxy)octane?
2-(2,2,2-trifluoroethoxy)octane has a molecular weight of 212.25 g/mol, XLogP of 3.92, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2,2-trifluoroethoxy)octane is sourced from PubChem (CID 12643285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).