Home > Compound List > Compound details
112738-67-7 molecular structure
click picture or here to close

1-(trifluoromethyl)cyclopropan-1-amine

ChemBase ID: 276170
Molecular Formular: C4H6F3N
Molecular Mass: 125.0923496
Monoisotopic Mass: 125.04523386
SMILES and InChIs

SMILES:
C1(C(F)(F)F)(CC1)N
Canonical SMILES:
FC(C1(N)CC1)(F)F
InChI:
InChI=1S/C4H6F3N/c5-4(6,7)3(8)1-2-3/h1-2,8H2
InChIKey:
FBWOFVFUKXZXKT-UHFFFAOYSA-N

Cite this record

CBID:276170 http://www.chembase.cn/molecule-276170.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(trifluoromethyl)cyclopropan-1-amine
IUPAC Traditional name
1-(trifluoromethyl)cyclopropan-1-amine
Synonyms
1-(trifluoromethyl)cyclopropan-1-amine
1-(TRIFLUOROMETHYL)CYCLOPROPANAMINE
CAS Number
112738-67-7
MDL Number
MFCD09038047
PubChem SID
164332080
PubChem CID
11651197

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11651197 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) 0.4985358  LogD (pH = 7.4) 0.7153681 
Log P 0.7189706  Molar Refractivity 22.4697 cm3
Polarizability 8.477456 Å3 Polar Surface Area 26.02 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
0.383 expand Show data source
Purity
95% 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