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154727-51-2 molecular structure
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(2S)-2-(trifluoromethyl)piperidine

ChemBase ID: 51063
Molecular Formular: C6H10F3N
Molecular Mass: 153.1455096
Monoisotopic Mass: 153.07653399
SMILES and InChIs

SMILES:
N1[C@@H](CCCC1)C(F)(F)F
Canonical SMILES:
FC([C@@H]1CCCCN1)(F)F
InChI:
InChI=1S/C6H10F3N/c7-6(8,9)5-3-1-2-4-10-5/h5,10H,1-4H2/t5-/m0/s1
InChIKey:
NAXDEFXCCITWEU-YFKPBYRVSA-N

Cite this record

CBID:51063 http://www.chembase.cn/molecule-51063.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-2-(trifluoromethyl)piperidine
IUPAC Traditional name
(2S)-2-(trifluoromethyl)piperidine
Synonyms
(S)-2-(Trifluoromethyl)piperidine
CAS Number
154727-51-2
MDL Number
MFCD11226597
PubChem SID
162055826
PubChem CID
42580051

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
054593 external link Add to cart Please log in.
Data Source Data ID
PubChem 42580051 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 1.4361902  LogD (pH = 7.4) 1.668417 
Log P 1.672351  Molar Refractivity 31.9557 cm3
Polarizability 11.997586 Å3 Polar Surface Area 12.03 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
97% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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