Trifluoroacetic acid, pentadecyl ester

Trifluoroacetic acid, pentadecyl ester
Compound Structure:
Synonyms: Trifluoroacetic acid, pentadecyl ester
Compound ID: NMPC-1573
PubChem ID:

536403
Molecular Formula: C17H31F3O2
Canonical SMILES: CCCCCCCCCCCCCCCOC(=O)C(F)(F)F
InChIKey: WXLYYNRKQJZZGJ-UHFFFAOYSA-N
About the compound:
Properties:

Computed Properties

Property Name

Property Value

Molecular Weight

324.4 g/mol

XLogP3

8.3

Hydrogen Bond Donor Count

0

Hydrogen Bond Acceptor Count

5

Rotatable Bond Count

15

Exact Mass

324.22761471 g/mol

Monoisotopic Mass

324.22761471 g/mol

Topological Polar Surface Area

26.3Ų

Heavy Atom Count

22

Formal Charge

0

Complexity

265

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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