2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane

C10H16F6O2 — CID 58623570

IUPAC2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane
SMILESCCC(C)(C)OCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-4-8(2,3)18-6-5-17-7(9(11,12)13)10(14,15)16/h7H,4-6H2,1-3H3
InChIKeyPFOSFWXPIAPXDS-UHFFFAOYSA-N
MW282.22 g/mol
LogP3.70
Rot. Bonds6

About 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane

2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane (PubChem CID 58623570) has the molecular formula C10H16F6O2 and a molecular weight of 282.22 g/mol. Its IUPAC name is 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane.

Molecular Properties

Compound Name2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane
PubChem CID58623570
Molecular FormulaC10H16F6O2
Molecular Weight282.22 g/mol
Exact Mass282.11
IUPAC Name2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane
SMILESCCC(C)(C)OCCOC(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C10H16F6O2/c1-4-8(2,3)18-6-5-17-7(9(11,12)13)10(14,15)16/h7H,4-6H2,1-3H3
InChIKeyPFOSFWXPIAPXDS-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
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-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane?
The IUPAC name of 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane (CID 58623570) is 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane.
What is the SMILES notation for 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane?
The canonical SMILES for 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane is CCC(C)(C)OCCOC(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane?
The InChIKey is PFOSFWXPIAPXDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F6O2/c1-4-8(2,3)18-6-5-17-7(9(11,12)13)10(14,15)16/h7H,4-6H2,1-3H3.
What are the key properties of 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane?
2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane has a molecular weight of 282.22 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)ethoxy]-2-methylbutane is sourced from PubChem (CID 58623570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).