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

C12H15F7O — CID 20743873

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1C2CC(C1C)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H15F7O/c1-5-6(2)8-3-7(5)4-9(8,13)10(20,11(14,15)16)12(17,18)19/h5-8,20H,3-4H2,1-2H3
InChIKeyOADSAQUTQUTGDZ-UHFFFAOYSA-N
MW308.24 g/mol
LogP3.86
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 20743873) has the molecular formula C12H15F7O and a molecular weight of 308.24 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID20743873
Molecular FormulaC12H15F7O
Molecular Weight308.24 g/mol
Exact Mass308.10
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1C2CC(C1C)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C12H15F7O/c1-5-6(2)8-3-7(5)4-9(8,13)10(20,11(14,15)16)12(17,18)19/h5-8,20H,3-4H2,1-2H3
InChIKeyOADSAQUTQUTGDZ-UHFFFAOYSA-N
XLogP3.86
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.24
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-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

Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 20743873) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC1C2CC(C1C)C(F)(C(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is OADSAQUTQUTGDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F7O/c1-5-6(2)8-3-7(5)4-9(8,13)10(20,11(14,15)16)12(17,18)19/h5-8,20H,3-4H2,1-2H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 308.24 g/mol, XLogP of 3.86, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-fluoro-5,6-dimethyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 20743873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).