2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane

C11H16F6O2 — CID 89298258

IUPAC2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane
SMILESCCCC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-2-6-9(10(12,13)14,11(15,16)17)19-8-5-3-4-7-18-8/h8H,2-7H2,1H3
InChIKeyPZOOMSUJUNHCNP-UHFFFAOYSA-N
MW294.24 g/mol
LogP4.19
Rot. Bonds4

About 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane

2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane (PubChem CID 89298258) has the molecular formula C11H16F6O2 and a molecular weight of 294.24 g/mol. Its IUPAC name is 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane.

Molecular Properties

Compound Name2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane
PubChem CID89298258
Molecular FormulaC11H16F6O2
Molecular Weight294.24 g/mol
Exact Mass294.11
IUPAC Name2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane
SMILESCCCC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C11H16F6O2/c1-2-6-9(10(12,13)14,11(15,16)17)19-8-5-3-4-7-18-8/h8H,2-7H2,1H3
InChIKeyPZOOMSUJUNHCNP-UHFFFAOYSA-N
XLogP4.19
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane 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

[3,3-Difluoro-4-methyl-4-(oxan-2-yloxy)pentyl] acetate
CID 20476679
2-[1,1,1-Trifluoro-4-methyl-2-(trifluoromethyl)hexan-2-yl]oxyoxane
CID 20756281
2-(3-Methylbutyl)-4,6-bis(trifluoromethyl)-1,3-dioxane
CID 21029069
2-[1,1,1,3,3,3-Hexafluoro-2-(2,3,3-trifluorobutan-2-yloxy)propan-2-yl]oxyoxane
CID 58820888
2-(1,1,1,3,3,3-Hexafluoro-2-methylpropan-2-yl)oxyoxane
CID 59893071
2-[1,1,1-Trifluoro-3-hydroperoxy-3-methyl-2-(trifluoromethyl)butan-2-yl]oxyoxane
CID 87982170
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)pentane
CID 89298259
2-[1,1,1-Trifluoro-2-(trifluoromethyl)butan-2-yl]oxyoxane
CID 89965300
2-(1-Ethoxyethoxy)-1,1,1-trifluoro-2-(trifluoromethyl)hexane
CID 90191552
2-(1,1,1-Trifluoro-2-methylpropan-2-yl)oxyoxane
CID 90844587
2-(2,2-Difluorobutoxy)oxane
CID 121276570
2-[2-(Fluoromethyl)-4-methylpentoxy]oxane
CID 138656745

Frequently Asked Questions

What is the IUPAC name of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane?
The IUPAC name of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane (CID 89298258) is 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane.
What is the SMILES notation for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane?
The canonical SMILES for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane is CCCC(OC1CCCCO1)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane?
The InChIKey is PZOOMSUJUNHCNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F6O2/c1-2-6-9(10(12,13)14,11(15,16)17)19-8-5-3-4-7-18-8/h8H,2-7H2,1H3.
What are the key properties of 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane?
2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane has a molecular weight of 294.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1,1,1-trifluoro-2-(trifluoromethyl)pentan-2-yl]oxyoxane is sourced from PubChem (CID 89298258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).