2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane

C8H12F6O2 — CID 12643288

IUPAC2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
SMILESCC(C)C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(2)6(15-3-7(9,10)11)16-4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyIJZYHFMZWWIULW-UHFFFAOYSA-N
MW254.17 g/mol
LogP3.13
Rot. Bonds5

About 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane

2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane (PubChem CID 12643288) has the molecular formula C8H12F6O2 and a molecular weight of 254.17 g/mol. Its IUPAC name is 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane.

Molecular Properties

Compound Name2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
PubChem CID12643288
Molecular FormulaC8H12F6O2
Molecular Weight254.17 g/mol
Exact Mass254.07
IUPAC Name2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane
SMILESCC(C)C(OCC(F)(F)F)OCC(F)(F)F
InChIInChI=1S/C8H12F6O2/c1-5(2)6(15-3-7(9,10)11)16-4-8(12,13)14/h5-6H,3-4H2,1-2H3
InChIKeyIJZYHFMZWWIULW-UHFFFAOYSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.17
LogP ≤ 53.13
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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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane?
The IUPAC name of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane (CID 12643288) is 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane.
What is the SMILES notation for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane?
The canonical SMILES for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane is CC(C)C(OCC(F)(F)F)OCC(F)(F)F.
What is the InChIKey of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane?
The InChIKey is IJZYHFMZWWIULW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O2/c1-5(2)6(15-3-7(9,10)11)16-4-8(12,13)14/h5-6H,3-4H2,1-2H3.
What are the key properties of 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane?
2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane has a molecular weight of 254.17 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1,1-bis(2,2,2-trifluoroethoxy)propane is sourced from PubChem (CID 12643288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).