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

C11H14F6O — CID 20764962

IUPAC1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H14F6O/c1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17/h5-8,18H,2-4H2,1H3
InChIKeyQNAAFMAKQXJKNS-UHFFFAOYSA-N
MW276.22 g/mol
LogP3.52
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (PubChem CID 20764962) has the molecular formula C11H14F6O and a molecular weight of 276.22 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
PubChem CID20764962
Molecular FormulaC11H14F6O
Molecular Weight276.22 g/mol
Exact Mass276.09
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol
SMILESCC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H14F6O/c1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17/h5-8,18H,2-4H2,1H3
InChIKeyQNAAFMAKQXJKNS-UHFFFAOYSA-N
XLogP3.52
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.22
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,1,1,3,3,3-hexafluoro-2-(6-methyl-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-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol (CID 20764962) is 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is CC1CC2CC1C(C(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
The InChIKey is QNAAFMAKQXJKNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F6O/c1-5-2-6-3-7(5)8(4-6)9(18,10(12,13)14)11(15,16)17/h5-8,18H,2-4H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol has a molecular weight of 276.22 g/mol, XLogP of 3.52, 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-(6-methyl-2-bicyclo[2.2.1]heptanyl)propan-2-ol is sourced from PubChem (CID 20764962), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).