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

C12H19F3O — CID 20593702

IUPAC3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
SMILESCC1C2CC(CC(O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C12H19F3O/c1-6-7(2)10-4-8(6)3-9(10)5-11(16)12(13,14)15/h6-11,16H,3-5H2,1-2H3
InChIKeyXQDGNXJSCSMFLM-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.23
Rot. Bonds2

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

3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 20593702) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
PubChem CID20593702
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol
SMILESCC1C2CC(CC(O)C(F)(F)F)C(C2)C1C
InChIInChI=1S/C12H19F3O/c1-6-7(2)10-4-8(6)3-9(10)5-11(16)12(13,14)15/h6-11,16H,3-5H2,1-2H3
InChIKeyXQDGNXJSCSMFLM-UHFFFAOYSA-N
XLogP3.23
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
1-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-2,2,2-trifluoroethanol
CID 20593676
2-(5,6-Dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 20593684
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 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol (CID 20593702) is 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol is CC1C2CC(CC(O)C(F)(F)F)C(C2)C1C.
What is the InChIKey of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is XQDGNXJSCSMFLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-6-7(2)10-4-8(6)3-9(10)5-11(16)12(13,14)15/h6-11,16H,3-5H2,1-2H3.
What are the key properties of 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol?
3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 236.28 g/mol, XLogP of 3.23, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 20593702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).