1 2D Structure

2D Structure

2 Identification

2.1 Computed Descriptors

2.1.1 IUPAC Name

5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1H-pyrazole

2.1.2 InChI

InChI=1S/C8H11F3N2O/c1-7(2,8(9,10)11)5-14-6-3-4-12-13-6/h3-4H,5H2,1-2H3,(H,12,13)

2.1.3 InChI Key

OHQIFTIZKKGGFT-UHFFFAOYSA-N

2.2 Synonyms

2.2.1 Depositor-Supplied Synonyms

1. 2229861-15-6

2. Mfcd32063446

3. 5-(3,3,3-trifluoro-2,2-dimethylpropoxy)-1h-pyrazole

4. Schembl20239853

5. Ohqiftizkkggft-uhfffaoysa-n

6. G69745

7. 5-(3,3,3-trifluoro-2,2-dimethyl-propoxy)-1h-pyrazole

2.3 Create Date

2018-06-23

3 Chemical and Physical Properties

Molecular Formula	C₈H₁₁F₃N₂O
Molecular Weight	208.18 g/mol
XLogP3	2.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	Da
Monoisotopic Mass	Da
Topological Polar Surface Area	37.9
Heavy Atom Count	14
Formal Charge	0
Complexity	194
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently Bonded Unit Count	1

3-(3,3,3-Trifluoro-2,2-dimethylpropoxy)-1H-pyrazole