1-Fluoro-norhexestrol
Basic information
- CAS
83303-93-9- Standard SMILES
CC[C@H](c1ccc(O)cc1)[C@@H](CF)c1ccc(O)cc1- InChIKey
ZGFBTQKUHZZJOK-SJORKVTESA-N- Molecular formula
- C17H19FO2
- Average molar mass
- 274.33 g/mol
- Monoisotopic mass
- 274.13690801
Overview
shows highly selective receptor-mediated uptake by target tissue in vivo; RN given refers to unlabeled cpd (R*,S*)-isomer
Names & identifiers
- Preferred name
- 1-Fluoro-norhexestrol
- IUPAC
- 4-[(2R,3S)-1-fluoro-2-(4-hydroxyphenyl)pentan-3-yl]phenol
- English name
- 1-fluoronorhexestrol
- Molecular formula
- C17H19FO2
- Molecular weight
- 274.33
Names & synonyms
1-Fluoropentestrol1-Fluoro-norhexestrol83303-93-91-Fluoro-2,3-bis(4-hydroxyphenyl)pentanePhenol, 4,4'-(1-ethyl-2-(fluoromethyl)-1,2-ethanediyl)bis-, (R*,S*)-1-FluoronorhexestrolRefChem:758124,4'-[(2r,3s)-1-fluoropentane-2,3-diyl]diphenolCHEMBL278365DTXSID0010032874,4'-(1-Fluoropentane-2,3-diyl)diphenolPhenol, 4,4'-[1-ethyl-2-(fluoromethyl)-1,2-ethanediyl]bis-, (R*,S*)- (9CI)
Database identifiers
- CAS
83303-93-9- PubChem CID
- 134199
- DTXSID
DTXSID001003287- ChEMBL
CHEMBL278365
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 40.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 5
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 268
Physicochemical properties
- Melting point
- 177 °C · 177 °C
- Boiling point
- 400.4 · 400.4±45.0 °C(Predicted)
- Density
- 1.161 · 1.161±0.06 g/cm3(Predicted)
- pka
- 9.87 · 9.87±0.26(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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