3-[(Bicyclo[2.2.1]hept-5-en-2-yl)methoxy]-1,1,1-trifluoro-2-(trifluoromethyl)-2-propanol
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Basic information
- CAS
262617-23-2- Standard SMILES
OC(COCC1CC2C=CC1C2)(C(F)(F)F)C(F)(F)F- InChIKey
WVMDVYUYUFUFQH-UHFFFAOYSA-N- Molecular formula
- C12H14F6O2
- Average molar mass
- 304.23 g/mol
- Monoisotopic mass
- 304.08979901
Names & identifiers
- Preferred name
- 3-[(Bicyclo[2.2.1]hept-5-en-2-yl)methoxy]-1,1,1-trifluoro-2-(trifluoromethyl)-2-propanol
- IUPAC
- 2-(2-bicyclo[2.2.1]hept-5-enylmethoxymethyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
Names & synonyms
3-[(Bicyclo[2.2.1]hept-5-en-2-yl)methoxy]-1,1,1-trifluoro-2-(trifluoromethyl)-2-propanolSCHEMBL7135347DTXSID4013809302-[(Bicyclo[2.2.1]hept-5-en-2-ylmethoxy)methyl]-1,1,1,3,3,3-hexafluoro-2-propanol262617-23-2
Database identifiers
- CAS
262617-23-2- PubChem CID
- 18679147
- DTXSID
DTXSID401380930
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 4
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 372
Related reactions
1 records
Compound notes
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