6-amino-1,1,1-trifluoro-3-methylnonan-2-one

C10H18F3NO — CID 88586887

IUPAC6-amino-1,1,1-trifluoro-3-methylnonan-2-one
SMILESCCCC(N)CCC(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-8(14)6-5-7(2)9(15)10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyTXELEYJRMUTKSI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.66
Rot. Bonds6

About 6-amino-1,1,1-trifluoro-3-methylnonan-2-one

6-amino-1,1,1-trifluoro-3-methylnonan-2-one (PubChem CID 88586887) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluoro-3-methylnonan-2-one.

Molecular Properties

Compound Name6-amino-1,1,1-trifluoro-3-methylnonan-2-one
PubChem CID88586887
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6-amino-1,1,1-trifluoro-3-methylnonan-2-one
SMILESCCCC(N)CCC(C)C(=O)C(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-4-8(14)6-5-7(2)9(15)10(11,12)13/h7-8H,3-6,14H2,1-2H3
InChIKeyTXELEYJRMUTKSI-UHFFFAOYSA-N
XLogP2.66
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.25
LogP ≤ 52.66
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-trifluoro-3-methylnonan-2-one?
The IUPAC name of 6-amino-1,1,1-trifluoro-3-methylnonan-2-one (CID 88586887) is 6-amino-1,1,1-trifluoro-3-methylnonan-2-one.
What is the SMILES notation for 6-amino-1,1,1-trifluoro-3-methylnonan-2-one?
The canonical SMILES for 6-amino-1,1,1-trifluoro-3-methylnonan-2-one is CCCC(N)CCC(C)C(=O)C(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluoro-3-methylnonan-2-one?
The InChIKey is TXELEYJRMUTKSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-4-8(14)6-5-7(2)9(15)10(11,12)13/h7-8H,3-6,14H2,1-2H3.
What are the key properties of 6-amino-1,1,1-trifluoro-3-methylnonan-2-one?
6-amino-1,1,1-trifluoro-3-methylnonan-2-one has a molecular weight of 225.25 g/mol, XLogP of 2.66, 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-trifluoro-3-methylnonan-2-one is sourced from PubChem (CID 88586887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).