decyl 2,2,3,3,3-pentafluoropropanoate

C13H21F5O2 — CID 536957

IUPACdecyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2-10H2,1H3
InChIKeyVVIWDHAVGIYAEE-UHFFFAOYSA-N
MW304.30 g/mol
LogP4.87
Rot. Bonds10

About decyl 2,2,3,3,3-pentafluoropropanoate

decyl 2,2,3,3,3-pentafluoropropanoate (PubChem CID 536957) has the molecular formula C13H21F5O2 and a molecular weight of 304.30 g/mol. Its IUPAC name is decyl 2,2,3,3,3-pentafluoropropanoate.

Molecular Properties

Compound Namedecyl 2,2,3,3,3-pentafluoropropanoate
PubChem CID536957
Molecular FormulaC13H21F5O2
Molecular Weight304.30 g/mol
Exact Mass304.15
IUPAC Namedecyl 2,2,3,3,3-pentafluoropropanoate
SMILESCCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F
InChIInChI=1S/C13H21F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2-10H2,1H3
InChIKeyVVIWDHAVGIYAEE-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.30
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

pentyl 2,2,3,3,4,4,4-heptafluorobutanoate
CID 521107
octyl 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluorononanoate
CID 86127603
dihexyl 2,2-difluoropropanedioate
CID 154336764
tricosyl 2,2,2-trifluoroacetate
CID 14574257
tetracosyl 2,2,2-trifluoroacetate
CID 91692950
octyl 2,2,2-trifluoroacetate
CID 520219
sodium;dodecyl 2,2,2-trifluoroacetate;hydride
CID 175457015
8-chlorooctyl 2,2,3,3,3-pentafluoropropanoate
CID 91692487
hexyl 2,2-difluoro-2-methylsulfanylacetate
CID 12070549
hexyl 2,3,3-trifluoro-2-hydroxypropanoate
CID 54537102
pentyl 2-methyl-2-(trifluoromethyl)butanoate
CID 59126240
1-O-octyl 3-O-undecyl 2,2-dimethylpropanedioate
CID 91714605

Frequently Asked Questions

What is the IUPAC name of decyl 2,2,3,3,3-pentafluoropropanoate?
The IUPAC name of decyl 2,2,3,3,3-pentafluoropropanoate (CID 536957) is decyl 2,2,3,3,3-pentafluoropropanoate.
What is the SMILES notation for decyl 2,2,3,3,3-pentafluoropropanoate?
The canonical SMILES for decyl 2,2,3,3,3-pentafluoropropanoate is CCCCCCCCCCOC(=O)C(F)(F)C(F)(F)F.
What is the InChIKey of decyl 2,2,3,3,3-pentafluoropropanoate?
The InChIKey is VVIWDHAVGIYAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21F5O2/c1-2-3-4-5-6-7-8-9-10-20-11(19)12(14,15)13(16,17)18/h2-10H2,1H3.
What are the key properties of decyl 2,2,3,3,3-pentafluoropropanoate?
decyl 2,2,3,3,3-pentafluoropropanoate has a molecular weight of 304.30 g/mol, XLogP of 4.87, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for decyl 2,2,3,3,3-pentafluoropropanoate is sourced from PubChem (CID 536957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).