3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol

C11H15F3O — CID 22278119

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-9,15H,4-6H2,1H3
InChIKeyCWUNTOGRBYWFBN-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.90
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol

3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol (PubChem CID 22278119) has the molecular formula C11H15F3O and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol
PubChem CID22278119
Molecular FormulaC11H15F3O
Molecular Weight220.23 g/mol
Exact Mass220.11
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol
SMILESCC(O)(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C11H15F3O/c1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-9,15H,4-6H2,1H3
InChIKeyCWUNTOGRBYWFBN-UHFFFAOYSA-N
XLogP2.90
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.90
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 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol (CID 22278119) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol is CC(O)(CC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
The InChIKey is CWUNTOGRBYWFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3O/c1-10(15,11(12,13)14)6-9-5-7-2-3-8(9)4-7/h2-3,7-9,15H,4-6H2,1H3.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol?
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol has a molecular weight of 220.23 g/mol, XLogP of 2.90, 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]hept-5-enyl)-1,1,1-trifluoro-2-methylpropan-2-ol is sourced from PubChem (CID 22278119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).