9-amino-7-ethyl-1,1,1-trifluorononan-4-one

C11H20F3NO — CID 116578315

IUPAC9-amino-7-ethyl-1,1,1-trifluorononan-4-one
SMILESCCC(CCN)CCC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-9(6-8-15)3-4-10(16)5-7-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyVAUKUFBPORAKCV-UHFFFAOYSA-N
MW239.28 g/mol
LogP3.05
Rot. Bonds8

About 9-amino-7-ethyl-1,1,1-trifluorononan-4-one

9-amino-7-ethyl-1,1,1-trifluorononan-4-one (PubChem CID 116578315) has the molecular formula C11H20F3NO and a molecular weight of 239.28 g/mol. Its IUPAC name is 9-amino-7-ethyl-1,1,1-trifluorononan-4-one.

Molecular Properties

Compound Name9-amino-7-ethyl-1,1,1-trifluorononan-4-one
PubChem CID116578315
Molecular FormulaC11H20F3NO
Molecular Weight239.28 g/mol
Exact Mass239.15
IUPAC Name9-amino-7-ethyl-1,1,1-trifluorononan-4-one
SMILESCCC(CCN)CCC(=O)CCC(F)(F)F
InChIInChI=1S/C11H20F3NO/c1-2-9(6-8-15)3-4-10(16)5-7-11(12,13)14/h9H,2-8,15H2,1H3
InChIKeyVAUKUFBPORAKCV-UHFFFAOYSA-N
XLogP3.05
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9-amino-7-ethyl-1,1,1-trifluorononan-4-one?
The IUPAC name of 9-amino-7-ethyl-1,1,1-trifluorononan-4-one (CID 116578315) is 9-amino-7-ethyl-1,1,1-trifluorononan-4-one.
What is the SMILES notation for 9-amino-7-ethyl-1,1,1-trifluorononan-4-one?
The canonical SMILES for 9-amino-7-ethyl-1,1,1-trifluorononan-4-one is CCC(CCN)CCC(=O)CCC(F)(F)F.
What is the InChIKey of 9-amino-7-ethyl-1,1,1-trifluorononan-4-one?
The InChIKey is VAUKUFBPORAKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO/c1-2-9(6-8-15)3-4-10(16)5-7-11(12,13)14/h9H,2-8,15H2,1H3.
What are the key properties of 9-amino-7-ethyl-1,1,1-trifluorononan-4-one?
9-amino-7-ethyl-1,1,1-trifluorononan-4-one has a molecular weight of 239.28 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-7-ethyl-1,1,1-trifluorononan-4-one is sourced from PubChem (CID 116578315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).