3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol

C10H9F5O — CID 134855972

IUPAC3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1C2C=CC(C2)C1C(=C(F)F)C(F)(F)F
InChIInChI=1S/C10H9F5O/c11-9(12)7(10(13,14)15)6-4-1-2-5(3-4)8(6)16/h1-2,4-6,8,16H,3H2
InChIKeyKAOXIWJDJTVFLU-UHFFFAOYSA-N
MW240.17 g/mol
LogP2.88
Rot. Bonds1

About 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol

3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol (PubChem CID 134855972) has the molecular formula C10H9F5O and a molecular weight of 240.17 g/mol. Its IUPAC name is 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol.

Molecular Properties

Compound Name3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
PubChem CID134855972
Molecular FormulaC10H9F5O
Molecular Weight240.17 g/mol
Exact Mass240.06
IUPAC Name3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol
SMILESOC1C2C=CC(C2)C1C(=C(F)F)C(F)(F)F
InChIInChI=1S/C10H9F5O/c11-9(12)7(10(13,14)15)6-4-1-2-5(3-4)8(6)16/h1-2,4-6,8,16H,3H2
InChIKeyKAOXIWJDJTVFLU-UHFFFAOYSA-N
XLogP2.88
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.17
LogP ≤ 52.88
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-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The IUPAC name of 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol (CID 134855972) is 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol.
What is the SMILES notation for 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The canonical SMILES for 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol is OC1C2C=CC(C2)C1C(=C(F)F)C(F)(F)F.
What is the InChIKey of 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
The InChIKey is KAOXIWJDJTVFLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F5O/c11-9(12)7(10(13,14)15)6-4-1-2-5(3-4)8(6)16/h1-2,4-6,8,16H,3H2.
What are the key properties of 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol?
3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol has a molecular weight of 240.17 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1,3,3,3-pentafluoroprop-1-en-2-yl)bicyclo[2.2.1]hept-5-en-2-ol is sourced from PubChem (CID 134855972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).