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1193390-31-6 molecular structure
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2-(3-fluorophenyl)pyrrolidine hydrochloride

ChemBase ID: 261330
Molecular Formular: C10H13ClFN
Molecular Mass: 201.6683232
Monoisotopic Mass: 201.07205532
SMILES and InChIs

SMILES:
c1(C2NCCC2)cc(F)ccc1.Cl
Canonical SMILES:
Fc1cccc(c1)C1CCCN1.Cl
InChI:
InChI=1S/C10H12FN.ClH/c11-9-4-1-3-8(7-9)10-5-2-6-12-10;/h1,3-4,7,10,12H,2,5-6H2;1H
InChIKey:
IXZAULRSYOOKSM-UHFFFAOYSA-N

Cite this record

CBID:261330 http://www.chembase.cn/molecule-261330.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(3-fluorophenyl)pyrrolidine hydrochloride
IUPAC Traditional name
2-(3-fluorophenyl)pyrrolidine hydrochloride
Synonyms
2-(3-fluorophenyl)pyrrolidine hydrochloride
CAS Number
1193390-31-6
MDL Number
MFCD08456901
PubChem SID
164317240
PubChem CID
45156258

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 45156258 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.0924941  LogD (pH = 7.4) -0.6571805 
Log P 2.139861  Molar Refractivity 46.7336 cm3
Polarizability 18.13497 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Melting Point
117 - 119°C expand Show data source
Hydrophobicity(logP)
2.077 expand Show data source
Purity
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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