2-amino-6,6,6-trifluoro-2-methylhexan-3-one

C7H12F3NO — CID 54064600

IUPAC2-amino-6,6,6-trifluoro-2-methylhexan-3-one
SMILESCC(C)(N)C(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,11)5(12)3-4-7(8,9)10/h3-4,11H2,1-2H3
InChIKeyMCBMKZUYFZPPGD-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.64
Rot. Bonds3

About 2-amino-6,6,6-trifluoro-2-methylhexan-3-one

2-amino-6,6,6-trifluoro-2-methylhexan-3-one (PubChem CID 54064600) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-6,6,6-trifluoro-2-methylhexan-3-one.

Molecular Properties

Compound Name2-amino-6,6,6-trifluoro-2-methylhexan-3-one
PubChem CID54064600
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-amino-6,6,6-trifluoro-2-methylhexan-3-one
SMILESCC(C)(N)C(=O)CCC(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-6(2,11)5(12)3-4-7(8,9)10/h3-4,11H2,1-2H3
InChIKeyMCBMKZUYFZPPGD-UHFFFAOYSA-N
XLogP1.64
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6,6,6-trifluoro-2-methylhexan-3-one?
The IUPAC name of 2-amino-6,6,6-trifluoro-2-methylhexan-3-one (CID 54064600) is 2-amino-6,6,6-trifluoro-2-methylhexan-3-one.
What is the SMILES notation for 2-amino-6,6,6-trifluoro-2-methylhexan-3-one?
The canonical SMILES for 2-amino-6,6,6-trifluoro-2-methylhexan-3-one is CC(C)(N)C(=O)CCC(F)(F)F.
What is the InChIKey of 2-amino-6,6,6-trifluoro-2-methylhexan-3-one?
The InChIKey is MCBMKZUYFZPPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-6(2,11)5(12)3-4-7(8,9)10/h3-4,11H2,1-2H3.
What are the key properties of 2-amino-6,6,6-trifluoro-2-methylhexan-3-one?
2-amino-6,6,6-trifluoro-2-methylhexan-3-one has a molecular weight of 183.17 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6,6,6-trifluoro-2-methylhexan-3-one is sourced from PubChem (CID 54064600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).