Basic information
- CAS
427-53-2- Standard SMILES
OC(c1ccc(F)cc1)(c1ccc(F)cc1)C1CC1- InChIKey
YAKFETHTYBAIJR-UHFFFAOYSA-N- Molecular formula
- C16H14F2O
- Average molar mass
- 260.28 g/mol
- Monoisotopic mass
- 260.10127151
Names & identifiers
- Preferred name
- 4-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol
- IUPAC
- cyclopropyl-bis(4-fluorophenyl)methanol
- English name
- 4-fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcohol
- Molecular formula
- C16H14F2O
- Molecular weight
- 260.2785664
Names & synonyms
427-53-24-Fluoro-alpha-cyclopropyl-alpha-(4-fluorophenyl)-benzylic alcoholcyclopropylbis(4-fluorophenyl)methanolcyclopropyl-bis(4-fluorophenyl)methanolCyclopropyl[di(4-fluorophenyl)]methanolNSC-78476NSC78476EINECS 207-049-9alpha-Cyclopropyl-4-fluoro-alpha-(4-fluorophenyl)benzenemethanolR7E73A4QH7SCHEMBL5637052CHEMBL1984266
Show more names
α-Cyclopropyl-4-fluoro-α-(4-fluorophenyl)benzenemethanolα-Cyclopropyl-4-fluoro-α-(4-fluorophenyl)benzenemethanolRS RMA043764-Fluoro-alpha-cyclopropyl-alpha--4-fluoro-?-cyclopropyl-?-(4-fluorophenyl)-benzylic alcoholBenzenemethanol, α-cyclopropyl-4-fluoro-α-(4-fluorophenyl)-
DTXSID50195394YAKFETHTYBAIJR-UHFFFAOYSA-NMFCD00019239NSC 78476SBB102319cyclopropyl-bis-(4-fluorophenyl)methanolbis(4-fluorophenyl)cyclopropylmethan-1-olNCI60_041731
Database identifiers
- CAS
427-53-2- PubChem CID
- 67930
- DTXSID
DTXSID50195394- ChEMBL
CHEMBL1984266- UNII
- R7E73A4QH7
- EC Number
- 207-049-9
- Nikkaji
- J196.108J
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 20.2 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 278
Physicochemical properties
- Boiling point
- 365.6 · 365.6±32.0 °C(Predicted)
- Density
- 1.292 · 1.292±0.06 g/cm3(Predicted)
- pka
- 13.34 · 13.34±0.29(Predicted)
- HS Code
- 2906190090 · 2906190090
Safety & regulation
Safety data
- hs_code
- 2906190090
Chemistry & industry
Upstream & downstream products
Downstream products
Suppliers5 total
北京科迈启医药科技有限公司15910349257 15910349257 · [email protected]
湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京博济达医药科技有限公司18762407961 · [email protected]
陕西缔都医药化工有限公司029-029-029-81148696 18161915376 · [email protected]
DAYANG CHEM (HANGZHOU) CO.,LTD+86-88938639 +86-17705817739 · [email protected]
Related reactions
2 records
Compound notes
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