3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol

C10H13F3O — CID 22023888

IUPAC3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c11-10(12,13)9(14)5-8-4-6-1-2-7(8)3-6/h1-2,6-9,14H,3-5H2
InChIKeyKZIJIBFJCLRQCL-UHFFFAOYSA-N
MW206.21 g/mol
LogP2.51
Rot. Bonds2

About 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol

3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol (PubChem CID 22023888) has the molecular formula C10H13F3O and a molecular weight of 206.21 g/mol. Its IUPAC name is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
PubChem CID22023888
Molecular FormulaC10H13F3O
Molecular Weight206.21 g/mol
Exact Mass206.09
IUPAC Name3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol
SMILESOC(CC1CC2C=CC1C2)C(F)(F)F
InChIInChI=1S/C10H13F3O/c11-10(12,13)9(14)5-8-4-6-1-2-7(8)3-6/h1-2,6-9,14H,3-5H2
InChIKeyKZIJIBFJCLRQCL-UHFFFAOYSA-N
XLogP2.51
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.21
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-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

Bicyclo(2.2.1)hept-5-ene-2-methanol
CID 78946
(5R)-5-Hydroxymethylbicyclo[2.2.1]hept-2-ene
CID 12268643
4,7-Methano-1H-inden-1-ol, 3a,4,7,7a-tetrahydro-
CID 424033
Unii-B4Q97fdn44
CID 6579449
3-(Bicyclo[2.2.1]hept-5-EN-2-YL)-1,1,1-trifluoro-2-(trifluoromethyl)propan-2-OL
CID 21360390
Bicyclo(2.2.1)hept-5-ene-2-ethanol
CID 548681
1-Hydroxydicyclopentadiene
CID 10898854
(1R,2S,3R,6R,7S)-tricyclo[5.2.1.02,6]deca-4,8-dien-3-ol
CID 11768721
alpha-Methylbicyclo(2.2.1)hept-5-ene-2-methanol
CID 114494
Bicyclo[2.2.1]hept-5-ene-2-methanol, (1R,2R,4R)-
CID 1868169
Bicyclo(2.2.1)hept-5-ene-2-methanol, (1R,2S,4R)-
CID 1868170
3-(Bicyclo[2.2.1]hept-5-en-2-yl)propan-1-ol
CID 281317

Frequently Asked Questions

What is the IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol (CID 22023888) is 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol is OC(CC1CC2C=CC1C2)C(F)(F)F.
What is the InChIKey of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
The InChIKey is KZIJIBFJCLRQCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F3O/c11-10(12,13)9(14)5-8-4-6-1-2-7(8)3-6/h1-2,6-9,14H,3-5H2.
What are the key properties of 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol?
3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol has a molecular weight of 206.21 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bicyclo[2.2.1]hept-5-enyl)-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 22023888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).