Pentadecafluorooctanoic acid, octadecyl ester

Pentadecafluorooctanoic acid, octadecyl ester
Compound Structure:
Synonyms: 131883-38-0; Octadecyl pentadecafluorooctanoate ;Octadecyl perfluorooctanoate ;SCHEMBL5163852 ;DTXSID20579561
Compound ID: NMPC-1385
PubChem ID:

15918848
Molecular Formula: C26H37F15O2
Canonical SMILES: CCCCCCCCCCCCCCCCCCOC(=O)C(C(C(C(C(C(C(F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F)(F)F
InChIKey: WTSTWJMWBBUFJP-UHFFFAOYSA-N
About the compound:
Properties:

Chemical and Physical Properties

Computed Properties

Property Name

Property Value

Molecular Weight

666.5 g/mol

XLogP3-AA

14.1

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

17

Rotatable Bond Count

24

Exact Mass

666.2554028 g/mol

Monoisotopic Mass

666.2554028 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

43

Formal Charge

0

Complexity

811

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

Compound Is Canonicalized

Yes

Source: PubChem                                                                                                                  
Source Species: Urena lobata
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