2-amino-1,1,1-trifluoro-2-methylhexan-3-one

C7H12F3NO — CID 116592913

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

About 2-amino-1,1,1-trifluoro-2-methylhexan-3-one

2-amino-1,1,1-trifluoro-2-methylhexan-3-one (PubChem CID 116592913) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluoro-2-methylhexan-3-one.

Molecular Properties

Compound Name2-amino-1,1,1-trifluoro-2-methylhexan-3-one
PubChem CID116592913
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-amino-1,1,1-trifluoro-2-methylhexan-3-one
SMILESCCCC(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-3-4-5(12)6(2,11)7(8,9)10/h3-4,11H2,1-2H3
InChIKeySSZNDFODQVHROC-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-1,1,1-trifluoro-2-methylhexan-3-one?
The IUPAC name of 2-amino-1,1,1-trifluoro-2-methylhexan-3-one (CID 116592913) is 2-amino-1,1,1-trifluoro-2-methylhexan-3-one.
What is the SMILES notation for 2-amino-1,1,1-trifluoro-2-methylhexan-3-one?
The canonical SMILES for 2-amino-1,1,1-trifluoro-2-methylhexan-3-one is CCCC(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluoro-2-methylhexan-3-one?
The InChIKey is SSZNDFODQVHROC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-3-4-5(12)6(2,11)7(8,9)10/h3-4,11H2,1-2H3.
What are the key properties of 2-amino-1,1,1-trifluoro-2-methylhexan-3-one?
2-amino-1,1,1-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-1,1,1-trifluoro-2-methylhexan-3-one is sourced from PubChem (CID 116592913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).