1,1-Bis(4-fluorophenyl)prop-2-yn-1-yl hydrogen cyclooctylcarbonimidate
Basic information
- CAS
20930-00-1- Standard SMILES
C#CC(OC(=O)NC1CCCCCCC1)(c1ccc(F)cc1)c1ccc(F)cc1- InChIKey
UNBXFNVXTHLLNJ-UHFFFAOYSA-N- Molecular formula
- C24H25F2NO2
- Average molar mass
- 397.5 g/mol
- Monoisotopic mass
- 397.18533536
Names & identifiers
- Preferred name
- 1,1-Bis(4-fluorophenyl)prop-2-yn-1-yl hydrogen cyclooctylcarbonimidate
- IUPAC
- 1,1-bis(4-fluorophenyl)prop-2-ynyl N-cyclooctylcarbamate
- English name
- N-Cyclooctylcarbamic acid 1,1-bis(p-fluorophenyl)-2-propynyl ester
- Molecular formula
- C24H25F2NO2
- Molecular weight
- 397.46
Names & synonyms
20930-00-1DTXSID909432101,1-Bis(4-fluorophenyl)prop-2-yn-1-yl hydrogen cyclooctylcarbonimidateRefChem:1051738DTXCID001371585N-Cyclooctylcarbamic Acid 1,1-Bis(4-Fluorophenyl)-2-Propynyl EsterBRN 31102101,1-Bis(4-fluorophenyl)-2-propynyl N-cyclooctyl carbamateCyclooctanecarbamic acid, 1,1-bis(p-fluorophenyl)-2-propynyl esterDB-298746N-cyclooctylcarbamic acid 1,1-bis(p-fluorophenyl )-2-propynyl esterN-Cyclooctylcarbamic acid 1,1-bis(p-fluorophenyl)-2-propynyl ester
Show more names
Carbamic acid, cyclooctyl-, 1,1-bis(4-fluorophenyl)-2-propynyl ester (9CI)
Database identifiers
- CAS
20930-00-1- PubChem CID
- 88732
- DTXSID
DTXSID90943210- Nikkaji
- J34.019G
Properties
Computed structural properties
- XLogP
- 6.3
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 541
Physicochemical properties
- Boiling point
- 500.8 · 500.8±50.0 °C(Predicted)
- Density
- 1.1625 · 1.1625 (estimate)
- pka
- 11.23 · 11.23±0.20(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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