Basic information
- CAS
101052-66-8- Standard SMILES
O=C(NC1CCCCCC1)OC#CC(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
SJOLDGBCZGNCMT-UHFFFAOYSA-N- Molecular formula
- C23H23F2NO2
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.1696853
Names & identifiers
- Preferred name
- CYCLOHEPTANECARBAMIC ACID, 3,3-BIS(p-FLUOROPHENYL)-1-PROPYNYL ESTER
- IUPAC
- 3,3-bis(4-fluorophenyl)prop-1-ynyl N-cycloheptylcarbamate
- English name
- Di-(p-fluorophenyl)propynyl-N-cycloheptyl-carbamate
- Molecular formula
- C23H23F2NO2
- Molecular weight
- 383.43
Names & synonyms
101052-66-8CYCLOHEPTANECARBAMIC ACID, 3,3-BIS(p-FLUOROPHENYL)-1-PROPYNYL ESTERDi-(4-Fluorophenyl)Propynyl-N-Cycloheptyl-Carbamate3,3-bis(4-fluorophenyl)prop-1-ynyl N-cycloheptylcarbamateDi-(p-fluorophenyl)propynyl-N-cycloheptyl-carbamateDTXSID40143703Carbamic acid, cycloheptyl-, 3,3-bis(4-fluorophenyl)-1-propynyl ester3,3-Bis(4-fluorophenyl)prop-1-yn-1-yl cycloheptylcarbamateCarbamic acid, cycloheptyl-, 3,3-bis(4-fluorophenyl)-1-propynyl ester (9CI)
Database identifiers
- CAS
101052-66-8- PubChem CID
- 58166
- DTXSID
DTXSID40143703- Nikkaji
- J75.299A
Properties
Computed structural properties
- XLogP
- 6.4
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 523
Physicochemical properties
- Density
- 1.21 · 1.21±0.1 g/cm3(Predicted)
- pka
- 11.09 · 11.09±0.20(Predicted)
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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