9-(2,2,2-trifluoroethoxy)nonan-4-one

C11H19F3O2 — CID 64502644

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

About 9-(2,2,2-trifluoroethoxy)nonan-4-one

9-(2,2,2-trifluoroethoxy)nonan-4-one (PubChem CID 64502644) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 9-(2,2,2-trifluoroethoxy)nonan-4-one.

Molecular Properties

Compound Name9-(2,2,2-trifluoroethoxy)nonan-4-one
PubChem CID64502644
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name9-(2,2,2-trifluoroethoxy)nonan-4-one
SMILESCCCC(=O)CCCCCOCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-2-6-10(15)7-4-3-5-8-16-9-11(12,13)14/h2-9H2,1H3
InChIKeyKMCKVOHWZGVBAX-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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Related Compounds

1-(2,2,2-trifluoroethoxy)heptan-4-one
CID 61490504
1-(2,2,2-trifluoroethoxy)nonan-3-one
CID 103146875
1-bromo-8-(2,2,2-trifluoroethoxy)octan-4-one
CID 106798772
6-(2,2,2-trifluoroethoxy)hexan-2-one
CID 43793499
tridecane-4,10-dione
CID 158766358
1-(3-hydroxypropoxy)pentadecan-5-one
CID 158545572
1-propoxyhenicosan-4-one
CID 157232243
ethane;1-(2,2,2-trifluoroethoxy)butane
CID 170752039
1,9-diethoxynonan-5-one
CID 150666797
6-oxononyl acetate
CID 121216271
icosane-4,15-dione
CID 123287171
octadecan-4-one
CID 551672

Frequently Asked Questions

What is the IUPAC name of 9-(2,2,2-trifluoroethoxy)nonan-4-one?
The IUPAC name of 9-(2,2,2-trifluoroethoxy)nonan-4-one (CID 64502644) is 9-(2,2,2-trifluoroethoxy)nonan-4-one.
What is the SMILES notation for 9-(2,2,2-trifluoroethoxy)nonan-4-one?
The canonical SMILES for 9-(2,2,2-trifluoroethoxy)nonan-4-one is CCCC(=O)CCCCCOCC(F)(F)F.
What is the InChIKey of 9-(2,2,2-trifluoroethoxy)nonan-4-one?
The InChIKey is KMCKVOHWZGVBAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-2-6-10(15)7-4-3-5-8-16-9-11(12,13)14/h2-9H2,1H3.
What are the key properties of 9-(2,2,2-trifluoroethoxy)nonan-4-one?
9-(2,2,2-trifluoroethoxy)nonan-4-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-4-one is sourced from PubChem (CID 64502644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).