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503417-34-3 molecular structure
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1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine

ChemBase ID: 269292
Molecular Formular: C10H10F3N
Molecular Mass: 201.1883096
Monoisotopic Mass: 201.07653399
SMILES and InChIs

SMILES:
C1(CC1)(c1cc(C(F)(F)F)ccc1)N
Canonical SMILES:
FC(c1cccc(c1)C1(N)CC1)(F)F
InChI:
InChI=1S/C10H10F3N/c11-10(12,13)8-3-1-2-7(6-8)9(14)4-5-9/h1-3,6H,4-5,14H2
InChIKey:
DDCYKBUZSOJYES-UHFFFAOYSA-N

Cite this record

CBID:269292 http://www.chembase.cn/molecule-269292.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
IUPAC Traditional name
1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
Synonyms
1-[3-(trifluoromethyl)phenyl]cyclopropan-1-amine
1-(3-(Trifluoromethyl)phenyl)cyclopropanamine
CAS Number
503417-34-3
MDL Number
MFCD07374480
PubChem SID
164325202
PubChem CID
43146583

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 43146583 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.62055  LogD (pH = 7.4) 0.32774383 
Log P 2.366196  Molar Refractivity 47.6059 cm3
Polarizability 17.708525 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)
2.321 expand Show data source
Purity
95% expand Show data source
95+% expand Show data source
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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