2-[2-(trifluoromethoxy)ethoxy]hexane

C9H17F3O2 — CID 126552411

IUPAC2-[2-(trifluoromethoxy)ethoxy]hexane
SMILESCCCCC(C)OCCOC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-3-4-5-8(2)13-6-7-14-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyUNKFCRGKDMLQNT-UHFFFAOYSA-N
MW214.23 g/mol
LogP3.12
Rot. Bonds7

About 2-[2-(trifluoromethoxy)ethoxy]hexane

2-[2-(trifluoromethoxy)ethoxy]hexane (PubChem CID 126552411) has the molecular formula C9H17F3O2 and a molecular weight of 214.23 g/mol. Its IUPAC name is 2-[2-(trifluoromethoxy)ethoxy]hexane.

Molecular Properties

Compound Name2-[2-(trifluoromethoxy)ethoxy]hexane
PubChem CID126552411
Molecular FormulaC9H17F3O2
Molecular Weight214.23 g/mol
Exact Mass214.12
IUPAC Name2-[2-(trifluoromethoxy)ethoxy]hexane
SMILESCCCCC(C)OCCOC(F)(F)F
InChIInChI=1S/C9H17F3O2/c1-3-4-5-8(2)13-6-7-14-9(10,11)12/h8H,3-7H2,1-2H3
InChIKeyUNKFCRGKDMLQNT-UHFFFAOYSA-N
XLogP3.12
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.23
LogP ≤ 53.12
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-[2-(trifluoromethoxy)ethoxy]hexane?
The IUPAC name of 2-[2-(trifluoromethoxy)ethoxy]hexane (CID 126552411) is 2-[2-(trifluoromethoxy)ethoxy]hexane.
What is the SMILES notation for 2-[2-(trifluoromethoxy)ethoxy]hexane?
The canonical SMILES for 2-[2-(trifluoromethoxy)ethoxy]hexane is CCCCC(C)OCCOC(F)(F)F.
What is the InChIKey of 2-[2-(trifluoromethoxy)ethoxy]hexane?
The InChIKey is UNKFCRGKDMLQNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3O2/c1-3-4-5-8(2)13-6-7-14-9(10,11)12/h8H,3-7H2,1-2H3.
What are the key properties of 2-[2-(trifluoromethoxy)ethoxy]hexane?
2-[2-(trifluoromethoxy)ethoxy]hexane has a molecular weight of 214.23 g/mol, XLogP of 3.12, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethoxy)ethoxy]hexane is sourced from PubChem (CID 126552411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).