3-Heptafluorobutyroxydodecane

3-Heptafluorobutyroxydodecane
Compound Structure:
Synonyms: 3-Heptafluorobutyroxydodecane;1-Ethyldecyl 2,2,3,3,4,4,4-heptafluorobutanoate
Compound ID: NMPC-355
PubChem ID:

534407

Molecular Formula: C16H25F7O2
Canonical SMILES: CCCCCCCCCC(CC)OC(=O)C(C(C(F)(F)F)(F)F)(F)F
InChIKey: YFPWSTCRHYMUMM-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Property Name

Property Value

Molecular Weight

382.36 g/mol

XLogP3-AA

8

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

9

Rotatable Bond Count

13

Exact Mass

382.17427717 g/mol

Monoisotopic Mass

382.17427717 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

25

Formal Charge

0

Complexity

394

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: Hippocratea indica
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