1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol

C11H17F3O — CID 20593676

IUPAC1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
SMILESCC1C2CC(C1C)C(C(O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3O/c1-5-6(2)8-3-7(5)4-9(8)10(15)11(12,13)14/h5-10,15H,3-4H2,1-2H3
InChIKeyLGAREWBQDQRBRO-UHFFFAOYSA-N
MW222.25 g/mol
LogP2.84
Rot. Bonds1

About 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol

1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol (PubChem CID 20593676) has the molecular formula C11H17F3O and a molecular weight of 222.25 g/mol. Its IUPAC name is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol.

Molecular Properties

Compound Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
PubChem CID20593676
Molecular FormulaC11H17F3O
Molecular Weight222.25 g/mol
Exact Mass222.12
IUPAC Name1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
SMILESCC1C2CC(C1C)C(C(O)C(F)(F)F)C2
InChIInChI=1S/C11H17F3O/c1-5-6(2)8-3-7(5)4-9(8)10(15)11(12,13)14/h5-10,15H,3-4H2,1-2H3
InChIKeyLGAREWBQDQRBRO-UHFFFAOYSA-N
XLogP2.84
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

Bicyclo(2.2.1)heptane-2-methanol, alpha,3,3-trimethyl-
CID 106672
Bicyclo[2.2.1]heptane-2-methanol, 5,6-dimethyl-1-(1-methylethyl)-
CID 86113
alpha-Methylbicyclo[2.2.1]heptane-2-methanol
CID 114493
beta-Methylbicyclo(2.2.1)heptane-2-propanol
CID 107019
Camphancarbinol
CID 424677
3-Methylbicyclo(2.2.1)heptane-2-methanol
CID 97995
alpha,3,3-Trimethylbicyclo(2.2.1)heptane-2-butanol
CID 102770
1-(3,3-Dimethyl-bicyclo[2.2.1.]hept-2-yl)-propan-2-ol
CID 23321366
1-(3,3-Dimethylbicyclo[2.2.1]hept-2-yl)-1-propanol
CID 4462927
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
3-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
CID 20593702
3-(2-Bicyclo[2.2.1]heptanylmethyl)-2,2,4,4-tetrafluoropentan-3-ol
CID 20734465

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol?
The IUPAC name of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol (CID 20593676) is 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol.
What is the SMILES notation for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol?
The canonical SMILES for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol is CC1C2CC(C1C)C(C(O)C(F)(F)F)C2.
What is the InChIKey of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol?
The InChIKey is LGAREWBQDQRBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17F3O/c1-5-6(2)8-3-7(5)4-9(8)10(15)11(12,13)14/h5-10,15H,3-4H2,1-2H3.
What are the key properties of 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol?
1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol has a molecular weight of 222.25 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol is sourced from PubChem (CID 20593676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).