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350017-04-8 molecular structure
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2-[(4-fluorophenyl)methyl]pyrrolidine

ChemBase ID: 261699
Molecular Formular: C11H14FN
Molecular Mass: 179.2339632
Monoisotopic Mass: 179.11102767
SMILES and InChIs

SMILES:
N1C(Cc2ccc(F)cc2)CCC1
Canonical SMILES:
Fc1ccc(cc1)CC1CCCN1
InChI:
InChI=1S/C11H14FN/c12-10-5-3-9(4-6-10)8-11-2-1-7-13-11/h3-6,11,13H,1-2,7-8H2
InChIKey:
VVKUNLLPKQCGHF-UHFFFAOYSA-N

Cite this record

CBID:261699 http://www.chembase.cn/molecule-261699.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[(4-fluorophenyl)methyl]pyrrolidine
IUPAC Traditional name
2-[(4-fluorophenyl)methyl]pyrrolidine
Synonyms
2-[(4-fluorophenyl)methyl]pyrrolidine
2-(4-FLUORO-BENZYL)-PYRROLIDINE
CAS Number
350017-04-8
MDL Number
MFCD02663476
PubChem SID
164317609
PubChem CID
5153217

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 5153217 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.811424  LogD (pH = 7.4) -0.6735015 
Log P 2.4285223  Molar Refractivity 51.4886 cm3
Polarizability 19.902523 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Product Information Bioassay(PubChem)
Hydrophobicity(logP)
2.606 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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