1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol

C11H13F5O2 — CID 11231086

IUPAC1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CC2C=CC1C2)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C11H13F5O2/c12-10(13,9(18)11(14,15)16)8(17)7-4-5-1-2-6(7)3-5/h1-2,5-9,17-18H,3-4H2
InChIKeyPCTLJZFZEQAELO-UHFFFAOYSA-N
MW272.21 g/mol
LogP2.12
Rot. Bonds3

About 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol

1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol (PubChem CID 11231086) has the molecular formula C11H13F5O2 and a molecular weight of 272.21 g/mol. Its IUPAC name is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol.

Molecular Properties

Compound Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol
PubChem CID11231086
Molecular FormulaC11H13F5O2
Molecular Weight272.21 g/mol
Exact Mass272.08
IUPAC Name1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol
SMILESOC(C1CC2C=CC1C2)C(F)(F)C(O)C(F)(F)F
InChIInChI=1S/C11H13F5O2/c12-10(13,9(18)11(14,15)16)8(17)7-4-5-1-2-6(7)3-5/h1-2,5-9,17-18H,3-4H2
InChIKeyPCTLJZFZEQAELO-UHFFFAOYSA-N
XLogP2.12
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.21
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The IUPAC name of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol (CID 11231086) is 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol.
What is the SMILES notation for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The canonical SMILES for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol is OC(C1CC2C=CC1C2)C(F)(F)C(O)C(F)(F)F.
What is the InChIKey of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
The InChIKey is PCTLJZFZEQAELO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F5O2/c12-10(13,9(18)11(14,15)16)8(17)7-4-5-1-2-6(7)3-5/h1-2,5-9,17-18H,3-4H2.
What are the key properties of 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol?
1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol has a molecular weight of 272.21 g/mol, XLogP of 2.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bicyclo[2.2.1]hept-5-enyl)-2,2,4,4,4-pentafluorobutane-1,3-diol is sourced from PubChem (CID 11231086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).