Home > Compound List > Compound details
627533-08-8 molecular structure
click picture or here to close

2-(trifluoromethyl)piperidine hydrochloride

ChemBase ID: 142909
Molecular Formular: C6H11ClF3N
Molecular Mass: 189.6064496
Monoisotopic Mass: 189.0532117
SMILES and InChIs

SMILES:
C1CCNC(C1)C(F)(F)F.Cl
Canonical SMILES:
FC(C1CCCCN1)(F)F.Cl
InChI:
InChI=1S/C6H10F3N.ClH/c7-6(8,9)5-3-1-2-4-10-5;/h5,10H,1-4H2;1H
InChIKey:
LUBQESPBTCELOM-UHFFFAOYSA-N

Cite this record

CBID:142909 http://www.chembase.cn/molecule-142909.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(trifluoromethyl)piperidine hydrochloride
IUPAC Traditional name
2-(trifluoromethyl)piperidine hydrochloride
Synonyms
2-(Trifluoromethyl)piperidine hydrochloride
(±)-2-(三氟甲基)哌啶 盐酸盐
CAS Number
627533-08-8
MDL Number
MFCD14584429
PubChem SID
162237135
PubChem CID
66570552

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
725889 external link Add to cart Please log in.
Data Source Data ID
PubChem 66570552 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)
European Hazard Symbols
Harmful Harmful (Xn) expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Risk Statements
22-36/37/38 expand Show data source
Safety Statements
26 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H315-H319-H335 expand Show data source
GHS Precautionary statements
P261-P301 + P310-P305 + P351 + P338 expand Show data source
Personal Protective Equipment
dust mask type N95 (US), Eyeshields, Faceshields, Gloves expand Show data source
Purity
≥96.0% expand Show data source
96.0-104.0% expand Show data source
Empirical Formula (Hill Notation)
C6H10F3N · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 725889 external link
Packaging
500 mg in glass bottle

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle