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125353-44-8 molecular structure
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(2S)-1,1,1-trifluoropropan-2-amine hydrochloride

ChemBase ID: 93504
Molecular Formular: C3H7ClF3N
Molecular Mass: 149.5425896
Monoisotopic Mass: 149.02191157
SMILES and InChIs

SMILES:
N[C@H](C(F)(F)F)C.Cl
Canonical SMILES:
C[C@@H](C(F)(F)F)N.Cl
InChI:
InChI=1S/C3H6F3N.ClH/c1-2(7)3(4,5)6;/h2H,7H2,1H3;1H/t2-;/m0./s1
InChIKey:
VLVCERQEOKPRTG-DKWTVANSSA-N

Cite this record

CBID:93504 http://www.chembase.cn/molecule-93504.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1,1,1-trifluoropropan-2-amine hydrochloride
IUPAC Traditional name
(2S)-1,1,1-trifluoropropan-2-amine hydrochloride
Synonyms
(S)-2-Amino-1,1,1-trifluoropropane hydrochloride
(S)-1,1,1-trifluoropropan-2-amine hydrochloride
(R)-2-Amino-1,1,1-trifluoropropane hydrochloride
CAS Number
125353-44-8
177469-12-4
MDL Number
MFCD07779095
MFCD07779094
PubChem SID
162080189
PubChem CID
13093919

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 13093919 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.46884844  LogD (pH = 7.4) 0.7413482 
Log P 0.7462124  Molar Refractivity 19.7877 cm3
Polarizability 7.391145 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
Irritant expand Show data source
Purity
98% ee expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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