2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane

C14H24F6O2 — CID 161281823

IUPAC2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
SMILESC.C.CC1C2CC(OC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C12H16F6O2.2CH4/c1-5-6(2)8-3-7(5)4-9(8)20-10(19,11(13,14)15)12(16,17)18;;/h5-9,19H,3-4H2,1-2H3;2*1H4
InChIKeyVFEQOQCUQVZKQA-UHFFFAOYSA-N
MW338.33 g/mol
LogP4.77
Rot. Bonds2

About 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane

2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane (PubChem CID 161281823) has the molecular formula C14H24F6O2 and a molecular weight of 338.33 g/mol. Its IUPAC name is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane.

Molecular Properties

Compound Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
PubChem CID161281823
Molecular FormulaC14H24F6O2
Molecular Weight338.33 g/mol
Exact Mass338.17
IUPAC Name2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane
SMILESC.C.CC1C2CC(OC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C12H16F6O2.2CH4/c1-5-6(2)8-3-7(5)4-9(8)20-10(19,11(13,14)15)12(16,17)18;;/h5-9,19H,3-4H2,1-2H3;2*1H4
InChIKeyVFEQOQCUQVZKQA-UHFFFAOYSA-N
XLogP4.77
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.33
LogP ≤ 54.77
H-Bond Donors ≤ 51
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-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane?
The IUPAC name of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane (CID 161281823) is 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane.
What is the SMILES notation for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane?
The canonical SMILES for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane is C.C.CC1C2CC(OC(O)(C(F)(F)F)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane?
The InChIKey is VFEQOQCUQVZKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O2.2CH4/c1-5-6(2)8-3-7(5)4-9(8)20-10(19,11(13,14)15)12(16,17)18;;/h5-9,19H,3-4H2,1-2H3;2*1H4.
What are the key properties of 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane?
2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane has a molecular weight of 338.33 g/mol, XLogP of 4.77, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)oxy]-1,1,1,3,3,3-hexafluoropropan-2-ol;methane is sourced from PubChem (CID 161281823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).