1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane

C8H12F6O — CID 20802182

IUPAC1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
SMILESCCCOCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-4-15-5-6(2,7(9,10)11)8(12,13)14/h3-5H2,1-2H3
InChIKeyGFDHJXCBQFMLGX-UHFFFAOYSA-N
MW238.17 g/mol
LogP3.54
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane

1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane (PubChem CID 20802182) has the molecular formula C8H12F6O and a molecular weight of 238.17 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
PubChem CID20802182
Molecular FormulaC8H12F6O
Molecular Weight238.17 g/mol
Exact Mass238.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane
SMILESCCCOCC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C8H12F6O/c1-3-4-15-5-6(2,7(9,10)11)8(12,13)14/h3-5H2,1-2H3
InChIKeyGFDHJXCBQFMLGX-UHFFFAOYSA-N
XLogP3.54
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.17
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1,1,1-trifluoro-2,2,3,3-tetramethyl-4-propoxybutane
CID 142957389
3,3-difluoro-1-propoxybutane
CID 118261285
1-[2-[2-(2-propoxyethoxy)ethoxy]ethoxy]propane-2,2-diol
CID 57214605
2,2,3,3,4,4-hexafluoro-1-propoxypentane
CID 122536211
N-[2,2-difluoro-3-(2-propoxyethoxy)propyl]-2-methylpropan-2-amine
CID 161286345
2,2-dichloro-1-propoxypropane
CID 91753628
2,2-dibromo-1-propoxypropane
CID 87234864
2-methyl-2-[2-(2-propoxyethoxy)ethoxy]propane
CID 87735391
1,1,1,3,3,3-hexafluoro-2-(methoxymethyl)-2-methylpropane
CID 21062401
lanthanum;tris(2-methyl-1-propoxypropan-2-ol)
CID 87836481
2,2-dimethoxy-1-propoxypropane
CID 56997351
3-ethyl-3-(propoxymethyl)pentane
CID 21035931

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane (CID 20802182) is 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane is CCCOCC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane?
The InChIKey is GFDHJXCBQFMLGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F6O/c1-3-4-15-5-6(2,7(9,10)11)8(12,13)14/h3-5H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane?
1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane has a molecular weight of 238.17 g/mol, XLogP of 3.54, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-methyl-2-(propoxymethyl)propane is sourced from PubChem (CID 20802182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).