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836-77-1 molecular structure
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undecafluoropiperidine

ChemBase ID: 97144
Molecular Formular: C5F11N
Molecular Mass: 283.0426352
Monoisotopic Mass: 282.98550943
SMILES and InChIs

SMILES:
N1(C(F)(F)C(C(C(C1(F)F)(F)F)(F)F)(F)F)F
Canonical SMILES:
FN1C(F)(F)C(F)(F)C(C(C1(F)F)(F)F)(F)F
InChI:
InChI=1S/C5F11N/c6-1(7)2(8,9)4(12,13)17(16)5(14,15)3(1,10)11
InChIKey:
VCEAGMYKGZNUFL-UHFFFAOYSA-N

Cite this record

CBID:97144 http://www.chembase.cn/molecule-97144.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
undecafluoropiperidine
IUPAC Traditional name
undecafluoropiperidine
Synonyms
N-Fluoroperfluoropiperidine 98%
CAS Number
836-77-1
MDL Number
MFCD00077545
PubChem SID
162083757
PubChem CID
136658

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Apollo Scientific
PC4058 external link Add to cart Please log in.
Data Source Data ID
PubChem 136658 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 3.5297613  LogD (pH = 7.4) 3.5297613 
Log P 3.5297613  Molar Refractivity 28.5599 cm3
Polarizability 11.128529 Å3 Polar Surface Area 3.24 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
Storage Warning
Irritant expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific
Apollo Scientific Ltd - PC4058 external link
Electrophilic fluorinating agent

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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