6-amino-1,1,1-trifluorononan-2-one

C9H16F3NO — CID 89292279

IUPAC6-amino-1,1,1-trifluorononan-2-one
SMILESCCCC(N)CCCC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-4-7(13)5-3-6-8(14)9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOTDQDZJOIOZHQY-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.42
Rot. Bonds6

About 6-amino-1,1,1-trifluorononan-2-one

6-amino-1,1,1-trifluorononan-2-one (PubChem CID 89292279) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluorononan-2-one.

Molecular Properties

Compound Name6-amino-1,1,1-trifluorononan-2-one
PubChem CID89292279
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name6-amino-1,1,1-trifluorononan-2-one
SMILESCCCC(N)CCCC(=O)C(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-2-4-7(13)5-3-6-8(14)9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyOTDQDZJOIOZHQY-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1,1,1-trifluorononan-2-one?
The IUPAC name of 6-amino-1,1,1-trifluorononan-2-one (CID 89292279) is 6-amino-1,1,1-trifluorononan-2-one.
What is the SMILES notation for 6-amino-1,1,1-trifluorononan-2-one?
The canonical SMILES for 6-amino-1,1,1-trifluorononan-2-one is CCCC(N)CCCC(=O)C(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluorononan-2-one?
The InChIKey is OTDQDZJOIOZHQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-2-4-7(13)5-3-6-8(14)9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of 6-amino-1,1,1-trifluorononan-2-one?
6-amino-1,1,1-trifluorononan-2-one has a molecular weight of 211.23 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1,1,1-trifluorononan-2-one is sourced from PubChem (CID 89292279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).