2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol

C10H13F3O — CID 22278131

IUPAC2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-8,14H,4-5H2,1H3
InChIKeyHTSUZSXCZQZZMW-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.51
Rot. Bonds1

About 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol

2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 22278131) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
PubChem CID22278131
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
SMILESCC(O)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-8,14H,4-5H2,1H3
InChIKeyHTSUZSXCZQZZMW-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.51
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 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol (CID 22278131) is 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol is CC(O)(C1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is HTSUZSXCZQZZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c1-9(14,10(11,12)13)8-5-6-2-3-7(8)4-6/h2-3,6-8,14H,4-5H2,1H3.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 206.21 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22278131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).