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1255574-62-9 molecular structure
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benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate

ChemBase ID: 290513
Molecular Formular: C17H16FNO2
Molecular Mass: 285.3128432
Monoisotopic Mass: 285.11650698
SMILES and InChIs

SMILES:
O=C(OCc1ccccc1)NC1(c2ccc(F)cc2)CC1
Canonical SMILES:
O=C(NC1(CC1)c1ccc(cc1)F)OCc1ccccc1
InChI:
InChI=1S/C17H16FNO2/c18-15-8-6-14(7-9-15)17(10-11-17)19-16(20)21-12-13-4-2-1-3-5-13/h1-9H,10-12H2,(H,19,20)
InChIKey:
IGJYPXXIOMBUNS-UHFFFAOYSA-N

Cite this record

CBID:290513 http://www.chembase.cn/molecule-290513.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
IUPAC Traditional name
benzyl N-[1-(4-fluorophenyl)cyclopropyl]carbamate
Synonyms
Benzyl (1-(4-fluorophenyl)cyclopropyl)carbamate
CAS Number
1255574-62-9
PubChem SID
180676044
PubChem CID
53216887

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Bide Pharmatech
BD229637 Please log in.
Data Source Data ID
PubChem 53216887 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 13.2145605  H Acceptors
H Donor LogD (pH = 5.5) 3.7936604 
LogD (pH = 7.4) 3.7936597  Log P 3.7936604 
Molar Refractivity 77.5286 cm3 Polarizability 29.950228 Å3
Polar Surface Area 38.33 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
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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