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163082-41-5 molecular structure
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2,2,2-trifluoro-1-(phenanthren-9-yl)ethan-1-one

ChemBase ID: 813473
Molecular Formular: C16H9F3O
Molecular Mass: 274.2372696
Monoisotopic Mass: 274.06054957
SMILES and InChIs

SMILES:
C(=O)(C(F)(F)F)c1c2c(cccc2)c2c(c1)cccc2
Canonical SMILES:
O=C(C(F)(F)F)c1cc2ccccc2c2c1cccc2
InChI:
InChI=1S/C16H9F3O/c17-16(18,19)15(20)14-9-10-5-1-2-6-11(10)12-7-3-4-8-13(12)14/h1-9H
InChIKey:
CTTFSYLJTVALDE-UHFFFAOYSA-N

Cite this record

CBID:813473 http://www.chembase.cn/molecule-813473.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2,2,2-trifluoro-1-(phenanthren-9-yl)ethan-1-one
IUPAC Traditional name
2,2,2-trifluoro-1-(phenanthren-9-yl)ethanone
Synonyms
2,2,2-TRIFLUORO-1-PHENANTHREN-9-YL-ETHANONE
CAS Number
163082-41-5

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O35054 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O35054 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) 4.6421757  LogD (pH = 7.4) 4.6421757 
Log P 4.6421757  Molar Refractivity 70.3714 cm3
Polarizability 28.131165 Å3 Polar Surface Area 17.07 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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