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136725-54-7 molecular structure
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(3S)-3-fluoropyrrolidine

ChemBase ID: 799557
Molecular Formular: C4H8FN
Molecular Mass: 89.1114232
Monoisotopic Mass: 89.06407748
SMILES and InChIs

SMILES:
N1C[C@H](CC1)F
Canonical SMILES:
F[C@@H]1CNCC1
InChI:
InChI=1S/C4H8FN/c5-4-1-2-6-3-4/h4,6H,1-3H2/t4-/m0/s1
InChIKey:
CDDGNGVFPQRJJM-BYPYZUCNSA-N

Cite this record

CBID:799557 http://www.chembase.cn/molecule-799557.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(3S)-3-fluoropyrrolidine
IUPAC Traditional name
(3S)-3-fluoropyrrolidine
Synonyms
(S)-3-fluoropyrrolidine
CAS Number
136725-54-7

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O14293 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O14293 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -3.2308958  LogD (pH = 7.4) -2.2204583 
Log P -0.043686844  Molar Refractivity 21.8602 cm3
Polarizability 8.618149 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
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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