2-Trifluoroacetoxydodecane

2-Trifluoroacetoxydodecane
Compound Structure:
Synonyms: 2-Trifluoroacetoxydodecane;1894-68-4;Acetic acid, trifluoro-, 1-methylundecyl ester;DTXSID50336785;1-Methylundecyl trifluoroacetate
Compound ID: NMPC-293
PubChem ID:

536258
Molecular Formula: C14H25F3O2
Canonical SMILES: CCCCCCCCCCC(C)OC(=O)C(F)(F)F
InChIKey: RDYXOENSCHDACI-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

282.34 g/mol

XLogP3-AA

6.7

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

11

Exact Mass

282.18066452 g/mol

Monoisotopic Mass

282.18066452 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

19

Formal Charge

0

Complexity

239

Isotope Atom Count

0

Defined Atom Stereocenter Count

0

Undefined Atom Stereocenter Count

1

Defined Bond Stereocenter Count

0

Undefined Bond Stereocenter Count

0

Covalently-Bonded Unit Count

1

Compound Is Canonicalized

Yes

Source: PubChem

                                                         
Source Species: Rauvolfia vomitoria
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