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1,9-dimethyl-4-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one

ChemBase ID: 322485
Molecular Formular: C16H25F4N3O3
Molecular Mass: 383.3816128
Monoisotopic Mass: 383.18320456
SMILES and InChIs

SMILES:
N1(C(=O)COCC(C(F)F)(F)F)CC2(N(CC1)C)CCN(C(=O)CC2)C
Canonical SMILES:
CN1CCC2(CCC1=O)CN(CCN2C)C(=O)COCC(C(F)F)(F)F
InChI:
InChI=1S/C16H25F4N3O3/c1-21-6-5-15(4-3-12(21)24)10-23(8-7-22(15)2)13(25)9-26-11-16(19,20)14(17)18/h14H,3-11H2,1-2H3
InChIKey:
CMLSWOIQGFFXHL-UHFFFAOYSA-N

Cite this record

CBID:322485 http://www.chembase.cn/molecule-322485.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,9-dimethyl-4-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
IUPAC Traditional name
1,9-dimethyl-4-[2-(2,2,3,3-tetrafluoropropoxy)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one
Synonyms
1,9-dimethyl-4-[(2,2,3,3-tetrafluoropropoxy)acetyl]-1,4,9-triazaspiro[5.6]dodecan-10-one

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11297420 external link Add to cart
Data Source Data ID Price
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 19.784277  H Acceptors
H Donor LogD (pH = 5.5) -2.4164686 
LogD (pH = 7.4) -0.7087223  Log P -0.22692235 
Molar Refractivity 85.602 cm3 Polarizability 32.663803 Å3
Polar Surface Area 53.09 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.29  LOG S -3.1 
Polar Surface Area 53.09 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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