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259143-03-8 molecular structure
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tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate

ChemBase ID: 63664
Molecular Formular: C11H20FNO2
Molecular Mass: 217.2804032
Monoisotopic Mass: 217.14780711
SMILES and InChIs

SMILES:
C1C(CF)CCN(C(=O)OC(C)(C)C)C1
Canonical SMILES:
FCC1CCN(CC1)C(=O)OC(C)(C)C
InChI:
InChI=1S/C11H20FNO2/c1-11(2,3)15-10(14)13-6-4-9(8-12)5-7-13/h9H,4-8H2,1-3H3
InChIKey:
JPONZPZEVAZHJW-UHFFFAOYSA-N

Cite this record

CBID:63664 http://www.chembase.cn/molecule-63664.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
IUPAC Traditional name
tert-butyl 4-(fluoromethyl)piperidine-1-carboxylate
Synonyms
tert-Butyl 4-(fluoromethyl)piperidine-1-carboxylate
CAS Number
259143-03-8
MDL Number
MFCD11054100
PubChem SID
162029403
PubChem CID
10608815

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 10608815 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.7600667  LogD (pH = 7.4) 1.7600667 
Log P 1.7600667  Molar Refractivity 56.5387 cm3
Polarizability 21.904638 Å3 Polar Surface Area 29.54 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
>95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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