Heptadecylheptafluorobutyrate

Compound Structure:

Synonyms:

Heptadecyl 2,2,3,3,4,4,4-heptafluorobutanoate; Heptadecyl perfluorobutyrate; Heptadecyl heptaflurobutyrate; Heptadecyl heptafluorobutyrate; 1-Heptadecanol, heptafluorobutyrate

Compound ID:

NMPC-1106

PubChem ID:

545577

Molecular Formula:

C21H35F7O2

Canonical SMILES:

CCCCCCCCCCCCCCCCCOC(=O)C(C(C(F)(F)F)(F)F)(F)F

InChIKey:

JMANSDFHCFBZBM-UHFFFAOYSA-N

About the compound:

Properties:

Chemical and Physical Properties

Computed Properties

Property Name	Property Value
Molecular Weight	452.5 g/mol
XLogP3-AA	10.9
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	9
Rotatable Bond Count	19
Exact Mass	452.25252749 g/mol
Monoisotopic Mass	452.25252749 g/mol
Topological Polar Surface Area	26.3Å²
Heavy Atom Count	30
Formal Charge	0
Complexity	451
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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