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886503-15-7 molecular structure
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2-(2,5-difluorophenyl)pyrrolidine

ChemBase ID: 52637
Molecular Formular: C10H11F2N
Molecular Mass: 183.1978464
Monoisotopic Mass: 183.0859558
SMILES and InChIs

SMILES:
c1cc(cc(c1F)C1NCCC1)F
Canonical SMILES:
Fc1ccc(c(c1)C1CCCN1)F
InChI:
InChI=1S/C10H11F2N/c11-7-3-4-9(12)8(6-7)10-2-1-5-13-10/h3-4,6,10,13H,1-2,5H2
InChIKey:
NCXSNNVYILYEBC-UHFFFAOYSA-N

Cite this record

CBID:52637 http://www.chembase.cn/molecule-52637.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2,5-difluorophenyl)pyrrolidine
IUPAC Traditional name
2-(2,5-difluorophenyl)pyrrolidine
Synonyms
2-(2,5-Difluorophenyl)pyrrolidine
CAS Number
886503-15-7
MDL Number
MFCD05189458
PubChem SID
162057400
PubChem CID
24697858

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Matrix Scientific
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Data Source Data ID
PubChem 24697858 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.90426624  LogD (pH = 7.4) 0.108691484 
Log P 2.282563  Molar Refractivity 46.95 cm3
Polarizability 17.837162 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
Storage Warning
IRRITANT expand Show data source
MSDS Link
Download expand Show data source
TSCA Listed
false expand Show data source
Purity
95% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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