1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol

C11H6F12O — CID 88652943

IUPAC1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2(C(F)(F)F)CCC1(C(F)(F)F)C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C11H6F12O/c12-8(13,14)3-4(9(15,16)17)7(11(21,22)23)2-1-6(3,5(7)24)10(18,19)20/h5,24H,1-2H2
InChIKeyCIAUXDWTLIRHJY-UHFFFAOYSA-N
MW382.14 g/mol
LogP4.67
Rot. Bonds

About 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol

1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol (PubChem CID 88652943) has the molecular formula C11H6F12O and a molecular weight of 382.14 g/mol. Its IUPAC name is 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol.

Molecular Properties

Compound Name1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol
PubChem CID88652943
Molecular FormulaC11H6F12O
Molecular Weight382.14 g/mol
Exact Mass382.02
IUPAC Name1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol
SMILESOC1C2(C(F)(F)F)CCC1(C(F)(F)F)C(C(F)(F)F)=C2C(F)(F)F
InChIInChI=1S/C11H6F12O/c12-8(13,14)3-4(9(15,16)17)7(11(21,22)23)2-1-6(3,5(7)24)10(18,19)20/h5,24H,1-2H2
InChIKeyCIAUXDWTLIRHJY-UHFFFAOYSA-N
XLogP4.67
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.14
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The IUPAC name of 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol (CID 88652943) is 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol.
What is the SMILES notation for 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The canonical SMILES for 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol is OC1C2(C(F)(F)F)CCC1(C(F)(F)F)C(C(F)(F)F)=C2C(F)(F)F.
What is the InChIKey of 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol?
The InChIKey is CIAUXDWTLIRHJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F12O/c12-8(13,14)3-4(9(15,16)17)7(11(21,22)23)2-1-6(3,5(7)24)10(18,19)20/h5,24H,1-2H2.
What are the key properties of 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol?
1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol has a molecular weight of 382.14 g/mol, XLogP of 4.67, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3,4-tetrakis(trifluoromethyl)bicyclo[2.2.1]hept-2-en-7-ol is sourced from PubChem (CID 88652943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).