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

C12H16F6O — CID 20593684

IUPAC2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H16F6O/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18/h5-9,19H,3-4H2,1-2H3
InChIKeyGMMLJOVFMHUUBP-UHFFFAOYSA-N
MW290.25 g/mol
LogP3.77
Rot. Bonds1

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

2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 20593684) has the molecular formula C12H16F6O and a molecular weight of 290.25 g/mol. Its IUPAC name is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID20593684
Molecular FormulaC12H16F6O
Molecular Weight290.25 g/mol
Exact Mass290.11
IUPAC Name2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H16F6O/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18/h5-9,19H,3-4H2,1-2H3
InChIKeyGMMLJOVFMHUUBP-UHFFFAOYSA-N
XLogP3.77
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.25
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 20593684) is 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is CC1C2CC(C1C)C(C(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is GMMLJOVFMHUUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16F6O/c1-5-6(2)8-3-7(5)4-9(8)10(19,11(13,14)15)12(16,17)18/h5-9,19H,3-4H2,1-2H3.
What are the key properties of 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 290.25 g/mol, XLogP of 3.77, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 20593684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).