6-ethoxy-1,1,1-trifluorononan-5-one

C11H19F3O2 — CID 116707742

IUPAC6-ethoxy-1,1,1-trifluorononan-5-one
SMILESCCCC(OCC)C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-3-6-10(16-4-2)9(15)7-5-8-11(12,13)14/h10H,3-8H2,1-2H3
InChIKeyWDOBDOBLVZAKGE-UHFFFAOYSA-N
MW240.26 g/mol
LogP3.49
Rot. Bonds8

About 6-ethoxy-1,1,1-trifluorononan-5-one

6-ethoxy-1,1,1-trifluorononan-5-one (PubChem CID 116707742) has the molecular formula C11H19F3O2 and a molecular weight of 240.26 g/mol. Its IUPAC name is 6-ethoxy-1,1,1-trifluorononan-5-one.

Molecular Properties

Compound Name6-ethoxy-1,1,1-trifluorononan-5-one
PubChem CID116707742
Molecular FormulaC11H19F3O2
Molecular Weight240.26 g/mol
Exact Mass240.13
IUPAC Name6-ethoxy-1,1,1-trifluorononan-5-one
SMILESCCCC(OCC)C(=O)CCCC(F)(F)F
InChIInChI=1S/C11H19F3O2/c1-3-6-10(16-4-2)9(15)7-5-8-11(12,13)14/h10H,3-8H2,1-2H3
InChIKeyWDOBDOBLVZAKGE-UHFFFAOYSA-N
XLogP3.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
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

Analyze 6-ethoxy-1,1,1-trifluorononan-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 2-(4,4,4-trifluorobutoxy)pentanoate
CID 83038838
4-ethoxydodec-11-en-5-one
CID 107008392
1-cyclopropyl-3-ethoxyhexan-2-one
CID 116707889
4-ethoxyoctan-3-one
CID 83226323
3-ethoxy-1-methylsulfanylheptan-4-one
CID 83226225
4-methoxypentadecan-5-one
CID 116708152
3-ethoxy-1-pyridin-4-ylhexan-2-one
CID 116707737
ethyl 2-(5,5,5-trifluoropentylamino)pentanoate
CID 115496244
ethyl (2R)-2-amino-5,5,5-trifluoropentanoate
CID 95378431
1-(ethylamino)-7,7,7-trifluoro-2-methylheptan-3-one
CID 116565331
7,7,7-trifluoro-2-propylheptanoic acid
CID 15512433
1-(2-chloro-5-fluorophenyl)-3-ethoxyhexan-2-one
CID 102617817

Frequently Asked Questions

What is the IUPAC name of 6-ethoxy-1,1,1-trifluorononan-5-one?
The IUPAC name of 6-ethoxy-1,1,1-trifluorononan-5-one (CID 116707742) is 6-ethoxy-1,1,1-trifluorononan-5-one.
What is the SMILES notation for 6-ethoxy-1,1,1-trifluorononan-5-one?
The canonical SMILES for 6-ethoxy-1,1,1-trifluorononan-5-one is CCCC(OCC)C(=O)CCCC(F)(F)F.
What is the InChIKey of 6-ethoxy-1,1,1-trifluorononan-5-one?
The InChIKey is WDOBDOBLVZAKGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3O2/c1-3-6-10(16-4-2)9(15)7-5-8-11(12,13)14/h10H,3-8H2,1-2H3.
What are the key properties of 6-ethoxy-1,1,1-trifluorononan-5-one?
6-ethoxy-1,1,1-trifluorononan-5-one has a molecular weight of 240.26 g/mol, XLogP of 3.49, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethoxy-1,1,1-trifluorononan-5-one is sourced from PubChem (CID 116707742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).