3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol

C12H19F3O — CID 134222474

IUPAC3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(C1CC2CCC1C2)C(C)(O)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-7(11(2,16)12(13,14)15)10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3
InChIKeyRACVOWODTNCXGD-UHFFFAOYSA-N
MW236.28 g/mol
LogP3.37
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol

3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol (PubChem CID 134222474) has the molecular formula C12H19F3O and a molecular weight of 236.28 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol
PubChem CID134222474
Molecular FormulaC12H19F3O
Molecular Weight236.28 g/mol
Exact Mass236.14
IUPAC Name3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol
SMILESCC(C1CC2CCC1C2)C(C)(O)C(F)(F)F
InChIInChI=1S/C12H19F3O/c1-7(11(2,16)12(13,14)15)10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3
InChIKeyRACVOWODTNCXGD-UHFFFAOYSA-N
XLogP3.37
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 ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol (CID 134222474) is 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol is CC(C1CC2CCC1C2)C(C)(O)C(F)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol?
The InChIKey is RACVOWODTNCXGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19F3O/c1-7(11(2,16)12(13,14)15)10-6-8-3-4-9(10)5-8/h7-10,16H,3-6H2,1-2H3.
What are the key properties of 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol?
3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol has a molecular weight of 236.28 g/mol, XLogP of 3.37, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]heptanyl)-1,1,1-trifluoro-2-methylbutan-2-ol is sourced from PubChem (CID 134222474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).