1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane

C7H10F6O — CID 138604548

IUPAC1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane
SMILESCCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-4-14-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyRIQDNQINKZXWJF-UHFFFAOYSA-N
MW224.14 g/mol
LogP3.30
Rot. Bonds3

About 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane

1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane (PubChem CID 138604548) has the molecular formula C7H10F6O and a molecular weight of 224.14 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane
PubChem CID138604548
Molecular FormulaC7H10F6O
Molecular Weight224.14 g/mol
Exact Mass224.06
IUPAC Name1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane
SMILESCCCOC(C)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C7H10F6O/c1-3-4-14-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3
InChIKeyRIQDNQINKZXWJF-UHFFFAOYSA-N
XLogP3.30
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane (CID 138604548) is 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane is CCCOC(C)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane?
The InChIKey is RIQDNQINKZXWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10F6O/c1-3-4-14-5(2,6(8,9)10)7(11,12)13/h3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane?
1,1,1,3,3,3-hexafluoro-2-methyl-2-propoxypropane has a molecular weight of 224.14 g/mol, XLogP of 3.30, 3 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-propoxypropane is sourced from PubChem (CID 138604548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).