2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane

C10H16F6O2 — CID 89298259

IUPAC2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
SMILESCCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-4-6-8(9(11,12)13,10(14,15)16)18-7(3)17-5-2/h7H,4-6H2,1-3H3
InChIKeyCETDKMOZEBHNGQ-UHFFFAOYSA-N
MW282.22 g/mol
LogP4.05
Rot. Bonds6

About 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane

2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane (PubChem CID 89298259) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane.

Molecular Properties

Compound Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
PubChem CID89298259
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
SMILESCCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-4-6-8(9(11,12)13,10(14,15)16)18-7(3)17-5-2/h7H,4-6H2,1-3H3
InChIKeyCETDKMOZEBHNGQ-UHFFFAOYSA-N
XLogP4.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Related Compounds

(3R)-4-(1-ethoxyethoxy)-3-fluoro-1-iodo-4-methylpentane
CID 13826508
(4R,8S)-4,8-diethoxy-2,2,6,6-tetrakis(trifluoromethyl)-1,5-dioxocane
CID 139093632
4-(1-Ethoxyethoxy)-3,3-difluoro-1-iodo-4-methylpentane
CID 13189251
4-(1-Ethoxyethoxy)-3-fluoro-1-iodo-4-methylpentane
CID 13826507
(3S)-4-(1-ethoxyethoxy)-3-fluoro-1-iodo-4-methylpentane
CID 13826509
2-Methyl-2-[3,3,3-trifluoro-1-[(2-methylpropan-2-yl)oxy]propoxy]propane
CID 15324360
1-Bromo-4-(1-ethoxyethoxy)-3,3-difluoro-4-methylpentane
CID 20476663
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-4-methyl-2-(trifluoromethyl)hexane
CID 20756273
2-(Ethoxymethoxy)-1,1,1,5-tetrafluoro-4-methyl-2-(trifluoromethyl)pentane
CID 21362172
3-(1-Ethoxyethoxy)-2,2-difluoro-3-methylpentane
CID 57316865
2-(1-Butoxyethoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 88047990
2-(1-Ethoxyethoxy)-1,1,1,3,3,3-hexafluoro-2-methylpropane
CID 88049045

Frequently Asked Questions

What is the IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane?
The IUPAC name of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane (CID 89298259) is 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane.
What is the SMILES notation for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane?
The canonical SMILES for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane is CCCC(OC(C)OCC)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane?
The InChIKey is CETDKMOZEBHNGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-4-6-8(9(11,12)13,10(14,15)16)18-7(3)17-5-2/h7H,4-6H2,1-3H3.
What are the key properties of 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane?
2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane has a molecular weight of 282.22 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane is sourced from PubChem (CID 89298259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).