2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate

C14H19F6O3- — CID 162508098

IUPAC2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate
SMILESC=CCCCCCCCCOC(=O)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H19F6O3/c1-2-3-4-5-6-7-8-9-10-23-11(21)12(22,13(15,16)17)14(18,19)20/h2H,1,3-10H2/q-1
InChIKeyRRKYNOLMIKAZAI-UHFFFAOYSA-N
MW349.29 g/mol
LogP3.67
Rot. Bonds10

About 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate

2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate (PubChem CID 162508098) has the molecular formula C14H19F6O3- and a molecular weight of 349.29 g/mol. Its IUPAC name is 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate.

Molecular Properties

Compound Name2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate
PubChem CID162508098
Molecular FormulaC14H19F6O3-
Molecular Weight349.29 g/mol
Exact Mass349.12
IUPAC Name2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate
SMILESC=CCCCCCCCCOC(=O)C([O-])(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C14H19F6O3/c1-2-3-4-5-6-7-8-9-10-23-11(21)12(22,13(15,16)17)14(18,19)20/h2H,1,3-10H2/q-1
InChIKeyRRKYNOLMIKAZAI-UHFFFAOYSA-N
XLogP3.67
TPSA49.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.29
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate?
The IUPAC name of 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate (CID 162508098) is 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate.
What is the SMILES notation for 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate?
The canonical SMILES for 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate is C=CCCCCCCCCOC(=O)C([O-])(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate?
The InChIKey is RRKYNOLMIKAZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F6O3/c1-2-3-4-5-6-7-8-9-10-23-11(21)12(22,13(15,16)17)14(18,19)20/h2H,1,3-10H2/q-1.
What are the key properties of 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate?
2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate has a molecular weight of 349.29 g/mol, XLogP of 3.67, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-dec-9-enoxycarbonyl-1,1,1,3,3,3-hexafluoropropan-2-olate is sourced from PubChem (CID 162508098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).