1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol

C11H12F6O — CID 152517101

IUPAC1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol
SMILESCC12CCC(C=C1C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H12F6O/c1-8-3-2-6(5-8)4-7(8)9(18,10(12,13)14)11(15,16)17/h4,6,18H,2-3,5H2,1H3
InChIKeyYGTDGBOXXLHPPC-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.59
Rot. Bonds1

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

1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol (PubChem CID 152517101) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol
PubChem CID152517101
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol
SMILESCC12CCC(C=C1C(O)(C(F)(F)F)C(F)(F)F)C2
InChIInChI=1S/C11H12F6O/c1-8-3-2-6(5-8)4-7(8)9(18,10(12,13)14)11(15,16)17/h4,6,18H,2-3,5H2,1H3
InChIKeyYGTDGBOXXLHPPC-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol (CID 152517101) is 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol is CC12CCC(C=C1C(O)(C(F)(F)F)C(F)(F)F)C2.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol?
The InChIKey is YGTDGBOXXLHPPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c1-8-3-2-6(5-8)4-7(8)9(18,10(12,13)14)11(15,16)17/h4,6,18H,2-3,5H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol?
1,1,1,3,3,3-hexafluoro-2-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol has a molecular weight of 274.20 g/mol, XLogP of 3.59, 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-(1-methyl-2-bicyclo[2.2.1]hept-2-enyl)propan-2-ol is sourced from PubChem (CID 152517101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).