Home > Compound List > Compound details
14395-53-0 molecular structure
click picture or here to close

(1S)-2,2,2-trifluoro-1-phenylethan-1-amine

ChemBase ID: 799405
Molecular Formular: C8H8F3N
Molecular Mass: 175.1510296
Monoisotopic Mass: 175.06088392
SMILES and InChIs

SMILES:
[C@H](C(F)(F)F)(N)c1ccccc1
Canonical SMILES:
N[C@H](C(F)(F)F)c1ccccc1
InChI:
InChI=1S/C8H8F3N/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5,7H,12H2/t7-/m0/s1
InChIKey:
DZCAUMADOBDJJH-ZETCQYMHSA-N

Cite this record

CBID:799405 http://www.chembase.cn/molecule-799405.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1S)-2,2,2-trifluoro-1-phenylethan-1-amine
IUPAC Traditional name
(1S)-2,2,2-trifluoro-1-phenylethanamine
Synonyms
(S)-2,2,2-TRIFLUORO-1-PHENYL-ETHYLAMINE
(S)-2,2,2-trifluoro-1-phenylethanamine
CAS Number
14395-53-0
62197-94-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 2.028292  LogD (pH = 7.4) 2.112688 
Log P 2.1138775  Molar Refractivity 39.6517 cm3
Polarizability 14.804085 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
96% expand Show data source
98% 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