Home > Compound List > Compound details
374-14-1 molecular structure
click picture or here to close

2,2,3,3,3-pentafluoropropan-1-amine hydrochloride

ChemBase ID: 6758
Molecular Formular: C3H5ClF5N
Molecular Mass: 185.523516
Monoisotopic Mass: 185.00306795
SMILES and InChIs

SMILES:
C(N)C(C(F)(F)F)(F)F.Cl
Canonical SMILES:
NCC(C(F)(F)F)(F)F.Cl
InChI:
InChI=1S/C3H4F5N.ClH/c4-2(5,1-9)3(6,7)8;/h1,9H2;1H
InChIKey:
MBDLWFISOWMXMI-UHFFFAOYSA-N

Cite this record

CBID:6758 http://www.chembase.cn/molecule-6758.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,3,3,3-pentafluoropropan-1-amine hydrochloride
IUPAC Traditional name
2,2,3,3,3-pentafluoropropan-1-amine hydrochloride
Synonyms
2,2,3,3,3-Pentafluoropropylamine hydrochloride
2,2,3,3,3-Pentafluoropropylamine hydrochloride 97%
CAS Number
374-14-1
MDL Number
MFCD00054747
PubChem SID
160970065
PubChem CID
25210507

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 25210507 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.73717237  LogD (pH = 7.4) 0.7836145 
Log P 1.0302801  Molar Refractivity 20.0369 cm3
Polarizability 7.556239 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
Harmful expand Show data source
IRRITANT-HARMFUL 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

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