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

C9H10F4O — CID 59016958

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol
SMILESOC(F)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C9H10F4O/c10-8(14,9(11,12)13)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2
InChIKeyGVBRHTKDDBYBHI-UHFFFAOYSA-N
MW210.17 g/mol
LogP2.42
Rot. Bonds1

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

1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol (PubChem CID 59016958) has the molecular formula C9H10F4O and a molecular weight of 210.17 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol
PubChem CID59016958
Molecular FormulaC9H10F4O
Molecular Weight210.17 g/mol
Exact Mass210.07
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol
SMILESOC(F)(C1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C9H10F4O/c10-8(14,9(11,12)13)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2
InChIKeyGVBRHTKDDBYBHI-UHFFFAOYSA-N
XLogP2.42
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.17
LogP ≤ 52.42
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-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol (CID 59016958) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol is OC(F)(C1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol?
The InChIKey is GVBRHTKDDBYBHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F4O/c10-8(14,9(11,12)13)7-4-5-1-2-6(7)3-5/h1-2,5-7,14H,3-4H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol has a molecular weight of 210.17 g/mol, XLogP of 2.42, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-1,2,2,2-tetrafluoroethanol is sourced from PubChem (CID 59016958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).