Basic information
- CAS
1334418-85-7- Standard SMILES
CC(C)(C)OC(=O)N1CCC(c2ccccc2)C(F)(F)C1- InChIKey
SRTMBQYLRUYJCV-UHFFFAOYSA-N- Molecular formula
- C16H21F2NO2
- Average molar mass
- 297.34 g/mol
- Monoisotopic mass
- 297.15403524
Names & identifiers
- Preferred name
- Tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate
- IUPAC
- tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate
- English name
- tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate
- Molecular formula
- C16H21F2NO2
- Molecular weight
- 297.34
Names & synonyms
tert-butyl 3,3-difluoro-4-phenylpiperidine-1-carboxylate1334418-85-7MFCD20261282AKOS0329469701-Boc-3,3-difluoro-4-phenylpiperidineAS-70235D86876F813282tert-butyl3,3-difluoro-4-phenylpiperidine-1-carboxylatetert-butyl 3,3-difluoro-4-phenyl-piperidine-1-carboxylate1-Piperidinecarboxylic acid, 3,3-difluoro-4-phenyl-, 1,1-dimethylethyl ester
Database identifiers
- CAS
1334418-85-7- PubChem CID
- 72698394
Properties
Computed structural properties
- XLogP
- 3.7
- Topological polar surface area
- 29.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 373
Chemistry & industry
Suppliers11 total
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
艾琪康医药科技（上海）有限公司13661411401 · [email protected]
台州川旭医药科技有限公司[email protected] 15165038510 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
艾琪康医药科技（上海）有限公司13512160998; 13512160998 · [email protected]
药明览博(武汉)化学科技有限公司022-59987777 13552403979 · [email protected]
艾览（上海）化工科技有限公司400-668-9898 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
济南光尘医药科技有限公司18563726319 · [email protected]
武汉万鉴生物科技有限公司13277087647 · [email protected]
江苏艾康生物医药研发有限公司17714375163 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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