6,6,6-trifluoro-3-(methylamino)hexan-2-one

C7H12F3NO — CID 130440232

IUPAC6,6,6-trifluoro-3-(methylamino)hexan-2-one
SMILESCNC(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C7H12F3NO/c1-5(12)6(11-2)3-4-7(8,9)10/h6,11H,3-4H2,1-2H3
InChIKeyRWMHKFZQDGAOHA-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.51
Rot. Bonds4

About 6,6,6-trifluoro-3-(methylamino)hexan-2-one

6,6,6-trifluoro-3-(methylamino)hexan-2-one (PubChem CID 130440232) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 6,6,6-trifluoro-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name6,6,6-trifluoro-3-(methylamino)hexan-2-one
PubChem CID130440232
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name6,6,6-trifluoro-3-(methylamino)hexan-2-one
SMILESCNC(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C7H12F3NO/c1-5(12)6(11-2)3-4-7(8,9)10/h6,11H,3-4H2,1-2H3
InChIKeyRWMHKFZQDGAOHA-UHFFFAOYSA-N
XLogP1.51
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-3-(methylamino)hexan-2-one?
The IUPAC name of 6,6,6-trifluoro-3-(methylamino)hexan-2-one (CID 130440232) is 6,6,6-trifluoro-3-(methylamino)hexan-2-one.
What is the SMILES notation for 6,6,6-trifluoro-3-(methylamino)hexan-2-one?
The canonical SMILES for 6,6,6-trifluoro-3-(methylamino)hexan-2-one is CNC(CCC(F)(F)F)C(C)=O.
What is the InChIKey of 6,6,6-trifluoro-3-(methylamino)hexan-2-one?
The InChIKey is RWMHKFZQDGAOHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-5(12)6(11-2)3-4-7(8,9)10/h6,11H,3-4H2,1-2H3.
What are the key properties of 6,6,6-trifluoro-3-(methylamino)hexan-2-one?
6,6,6-trifluoro-3-(methylamino)hexan-2-one has a molecular weight of 183.17 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-3-(methylamino)hexan-2-one is sourced from PubChem (CID 130440232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).