2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

C11H12F6O — CID 87648098

IUPAC2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)C(F)(CC1=C2CCC(C2)C1)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-9(10(13,14)15,11(16,17)18)5-8-4-6-1-2-7(8)3-6/h6,18H,1-5H2
InChIKeyXAVDNXJGAGAOHG-UHFFFAOYSA-N
MW274.20 g/mol
LogP3.73
Rot. Bonds3

About 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol

2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (PubChem CID 87648098) has the molecular formula C11H12F6O and a molecular weight of 274.20 g/mol. Its IUPAC name is 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.

Molecular Properties

Compound Name2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
PubChem CID87648098
Molecular FormulaC11H12F6O
Molecular Weight274.20 g/mol
Exact Mass274.08
IUPAC Name2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
SMILESOC(F)(F)C(F)(CC1=C2CCC(C2)C1)C(F)(F)F
InChIInChI=1S/C11H12F6O/c12-9(10(13,14)15,11(16,17)18)5-8-4-6-1-2-7(8)3-6/h6,18H,1-5H2
InChIKeyXAVDNXJGAGAOHG-UHFFFAOYSA-N
XLogP3.73
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.20
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol with MolForge

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

Launch Full Analysis

Related Compounds

1,1,1,3,3,3-Hexafluoro-2-[3-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 20760914
2-(1',1'-Bis(trifluoromethyl)-1'-hydroxyethyl)norbornene
CID 58999840
1,1,1,3,3,3-Hexafluoro-2-[3-(1,2,2,2-tetrafluoro-1-hydroxyethyl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 59752418
2-(2-Bicyclo[2.2.1]hept-1-enyl)-1,1,2,3,3,3-hexafluoropropan-1-ol
CID 87438860
3-(1,1,1,3,3,3-Hexafluoropropan-2-yl)bicyclo[2.2.1]hept-2-en-2-ol
CID 87438861
2-(2-Bicyclo[2.2.1]hept-4-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87731630
2-(2-Bicyclo[2.2.1]hept-4-enyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 87733376
3-[3,3,3-Trifluoro-2-(trifluoromethyl)propyl]bicyclo[2.2.1]hept-2-en-2-ol
CID 87737089
1,1,1,3,3,3-Hexafluoro-2-[[3-fluoro-3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-1-enyl]methyl]propan-2-ol
CID 87958462
1,1,1,3,3,3-Hexafluoro-2-[3-(trifluoromethyl)-2-bicyclo[2.2.1]hept-2-enyl]propan-2-ol
CID 90945350
2-(2-Bicyclo[2.2.1]hept-1(6)-enylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 91300240
2-(2-Bicyclo[2.2.1]hept-2-enylmethyl)-1,1,1,4,4,4-hexafluorobutan-2-ol
CID 118862603

Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The IUPAC name of 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol (CID 87648098) is 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol.
What is the SMILES notation for 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The canonical SMILES for 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is OC(F)(F)C(F)(CC1=C2CCC(C2)C1)C(F)(F)F.
What is the InChIKey of 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
The InChIKey is XAVDNXJGAGAOHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F6O/c12-9(10(13,14)15,11(16,17)18)5-8-4-6-1-2-7(8)3-6/h6,18H,1-5H2.
What are the key properties of 2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol?
2-(2-bicyclo[2.2.1]hept-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol has a molecular weight of 274.20 g/mol, XLogP of 3.73, 3 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-1-enylmethyl)-1,1,2,3,3,3-hexafluoropropan-1-ol is sourced from PubChem (CID 87648098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).