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337912-66-0 molecular structure
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4-[3-(trifluoromethyl)phenoxy]piperidine

ChemBase ID: 306968
Molecular Formular: C12H14F3NO
Molecular Mass: 245.2408696
Monoisotopic Mass: 245.10274873
SMILES and InChIs

SMILES:
C(c1cc(OC2CCNCC2)ccc1)(F)(F)F
Canonical SMILES:
FC(c1cccc(c1)OC1CCNCC1)(F)F
InChI:
InChI=1S/C12H14F3NO/c13-12(14,15)9-2-1-3-11(8-9)17-10-4-6-16-7-5-10/h1-3,8,10,16H,4-7H2
InChIKey:
BYJVBLFZMKBFMT-UHFFFAOYSA-N

Cite this record

CBID:306968 http://www.chembase.cn/molecule-306968.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[3-(trifluoromethyl)phenoxy]piperidine
IUPAC Traditional name
4-[3-(trifluoromethyl)phenoxy]piperidine
Synonyms
4-[3-(trifluoromethyl)phenoxy]piperidine
CAS Number
337912-66-0
MDL Number
MFCD08059671

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.8702175  LogD (pH = 7.4) -0.025898894 
Log P 2.3371813  Molar Refractivity 58.6513 cm3
Polarizability 22.086561 Å3 Polar Surface Area 21.26 Å2

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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