Structure Info
- Chemspace ID
- CSMB00010244060 (Enamine MADE)
- CAS
- 67589-15-5
- MFCD
- MFCD11840324
- IUPAC Name
- 1-[2-hydroxy-5-(trifluoromethyl)phenyl]ethan-1-one
- Mol formula
- C9H7F3O2
- Mol weight
- 204 Da
- Catalog Number(s)
- 0406AC, 10R0280, 31794, 156749, A014003423, A129696, A189638, AA0038EQ, AB50766, ABC01004795, AC009211, AG-21618, AG0038HI, AJ50766, AOS0038HI, AR00396I, ArZ-UP080445, ArZ-UP170549, ArZ-UP378637, ArZ-UP505914, BB4LS-10R0280, BB4LS-EN300-395555, BBV-40281988, BD222415, CB25552, CD12043953, CP001171, CS-W005903, CSC010244060, D211402, D917273, DS-17299, EN300-395555, F13146, F13146-0.25G, F231401, FCH1405881, FH105366, G268018, H67329, HY-W005903, IMED1269287945, J62780, LAN-B06008, LN00219690, LQT-B06034, PC201278, R347725, SAB-041139, SC-93429, SY113354, W169919, Y1043907, ZX-AE020146, ZX-NM213824, ZXC135598, ZXC151773, ZXC221547, setm-288
- Copy structure to query editor
- SMILES
- INCHI
- INCHI key
- MOL
Properties
- LogP
- 2.76
- Heavy atoms count
- 14
- Rotatable bond count
- 2
- Number of rings
- 1
- Carbon bond saturation, Fsp3
- 0.222
- Polar surface area (Å)
- 37
- Hydrogen bond acceptors count
- 2
- Hydrogen bond donors count
- 1
- Zoom the structure
- CSMB00010244060
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