2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane

C9H15F3O2 — CID 90844587

IUPAC2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(C)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-8(2,9(10,11)12)14-7-5-3-4-6-13-7/h7H,3-6H2,1-2H3
InChIKeyRNVOGMGSMUADEO-UHFFFAOYSA-N
MW212.21 g/mol
LogP2.87
Rot. Bonds2

About 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane

2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane (PubChem CID 90844587) has the molecular formula C9H15F3O2 and a molecular weight of 212.21 g/mol. Its IUPAC name is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane.

Molecular Properties

Compound Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane
PubChem CID90844587
Molecular FormulaC9H15F3O2
Molecular Weight212.21 g/mol
Exact Mass212.10
IUPAC Name2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane
SMILESCC(C)(OC1CCCCO1)C(F)(F)F
InChIInChI=1S/C9H15F3O2/c1-8(2,9(10,11)12)14-7-5-3-4-6-13-7/h7H,3-6H2,1-2H3
InChIKeyRNVOGMGSMUADEO-UHFFFAOYSA-N
XLogP2.87
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane?
The IUPAC name of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane (CID 90844587) is 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane.
What is the SMILES notation for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane?
The canonical SMILES for 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane is CC(C)(OC1CCCCO1)C(F)(F)F.
What is the InChIKey of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane?
The InChIKey is RNVOGMGSMUADEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F3O2/c1-8(2,9(10,11)12)14-7-5-3-4-6-13-7/h7H,3-6H2,1-2H3.
What are the key properties of 2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane?
2-(1,1,1-trifluoro-2-methylpropan-2-yl)oxyoxane has a molecular weight of 212.21 g/mol, XLogP of 2.87, 2 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-methylpropan-2-yl)oxyoxane is sourced from PubChem (CID 90844587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).