9-(2,2,2-trifluoroethoxy)nonan-2-one

C11H19F3O2 — CID 59116676

IUPAC9-(2,2,2-trifluoroethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-10(15)7-5-3-2-4-6-8-16-9-11(12,13)14/h2-9H2,1H3
InChIKeyCLOWXVYMUMLIPF-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.49
Rot. Bonds9

About 9-(2,2,2-trifluoroethoxy)nonan-2-one

9-(2,2,2-trifluoroethoxy)nonan-2-one (PubChem CID 59116676) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethoxy)nonan-2-one.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethoxy)nonan-2-one
PubChem CID59116676
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name9-(2,2,2-trifluoroethoxy)nonan-2-one
SMILESCC(=O)CCCCCCCOCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-10(15)7-5-3-2-4-6-8-16-9-11(12,13)14/h2-9H2,1H3
InChIKeyCLOWXVYMUMLIPF-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 9-(2,2,2-trifluoroethoxy)nonan-2-one?
The IUPAC name of 9-(2,2,2-trifluoroethoxy)nonan-2-one (CID 59116676) is 9-(2,2,2-trifluoroethoxy)nonan-2-one.
What is the SMILES notation for 9-(2,2,2-trifluoroethoxy)nonan-2-one?
The canonical SMILES for 9-(2,2,2-trifluoroethoxy)nonan-2-one is CC(=O)CCCCCCCOCC(F)(F)F.
What is the InChIKey of 9-(2,2,2-trifluoroethoxy)nonan-2-one?
The InChIKey is CLOWXVYMUMLIPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-10(15)7-5-3-2-4-6-8-16-9-11(12,13)14/h2-9H2,1H3.
What are the key properties of 9-(2,2,2-trifluoroethoxy)nonan-2-one?
9-(2,2,2-trifluoroethoxy)nonan-2-one has a molecular weight of 240.26 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2,2,2-trifluoroethoxy)nonan-2-one is sourced from PubChem (CID 59116676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).