6-amino-1,1,1-trifluoro-6-methylnonan-5-one

C10H18F3NO — CID 116557100

IUPAC6-amino-1,1,1-trifluoro-6-methylnonan-5-one
SMILESCCCC(C)(N)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-6-9(2,14)8(15)5-4-7-10(11,12)13/h3-7,14H2,1-2H3
InChIKeyTXHRMLRIWYULBI-UHFFFAOYSA-N
MW225.25 g/mol
LogP2.81
Rot. Bonds6

About 6-amino-1,1,1-trifluoro-6-methylnonan-5-one

6-amino-1,1,1-trifluoro-6-methylnonan-5-one (PubChem CID 116557100) has the molecular formula C10H18F3NO and a molecular weight of 225.25 g/mol. Its IUPAC name is 6-amino-1,1,1-trifluoro-6-methylnonan-5-one.

Molecular Properties

Compound Name6-amino-1,1,1-trifluoro-6-methylnonan-5-one
PubChem CID116557100
Molecular FormulaC10H18F3NO
Molecular Weight225.25 g/mol
Exact Mass225.13
IUPAC Name6-amino-1,1,1-trifluoro-6-methylnonan-5-one
SMILESCCCC(C)(N)C(=O)CCCC(F)(F)F
InChIInChI=1S/C10H18F3NO/c1-3-6-9(2,14)8(15)5-4-7-10(11,12)13/h3-7,14H2,1-2H3
InChIKeyTXHRMLRIWYULBI-UHFFFAOYSA-N
XLogP2.81
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 ≤ 52.81
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-6-methylnonan-5-one?
The IUPAC name of 6-amino-1,1,1-trifluoro-6-methylnonan-5-one (CID 116557100) is 6-amino-1,1,1-trifluoro-6-methylnonan-5-one.
What is the SMILES notation for 6-amino-1,1,1-trifluoro-6-methylnonan-5-one?
The canonical SMILES for 6-amino-1,1,1-trifluoro-6-methylnonan-5-one is CCCC(C)(N)C(=O)CCCC(F)(F)F.
What is the InChIKey of 6-amino-1,1,1-trifluoro-6-methylnonan-5-one?
The InChIKey is TXHRMLRIWYULBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO/c1-3-6-9(2,14)8(15)5-4-7-10(11,12)13/h3-7,14H2,1-2H3.
What are the key properties of 6-amino-1,1,1-trifluoro-6-methylnonan-5-one?
6-amino-1,1,1-trifluoro-6-methylnonan-5-one has a molecular weight of 225.25 g/mol, XLogP of 2.81, 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-6-methylnonan-5-one is sourced from PubChem (CID 116557100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).