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

C8H14F3NO — CID 131968819

IUPAC(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one
SMILESCN[C@](C)(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO/c1-6(13)7(2,12-3)4-5-8(9,10)11/h12H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyUOLJLKPXFIGYQY-SSDOTTSWSA-N
MW197.20 g/mol
LogP1.90
Rot. Bonds4

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

(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one (PubChem CID 131968819) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one.

Molecular Properties

Compound Name(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one
PubChem CID131968819
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one
SMILESCN[C@](C)(CCC(F)(F)F)C(C)=O
InChIInChI=1S/C8H14F3NO/c1-6(13)7(2,12-3)4-5-8(9,10)11/h12H,4-5H2,1-3H3/t7-/m1/s1
InChIKeyUOLJLKPXFIGYQY-SSDOTTSWSA-N
XLogP1.90
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.20
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one?
The IUPAC name of (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one (CID 131968819) is (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one.
What is the SMILES notation for (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one?
The canonical SMILES for (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one is CN[C@](C)(CCC(F)(F)F)C(C)=O.
What is the InChIKey of (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one?
The InChIKey is UOLJLKPXFIGYQY-SSDOTTSWSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-6(13)7(2,12-3)4-5-8(9,10)11/h12H,4-5H2,1-3H3/t7-/m1/s1.
What are the key properties of (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one?
(3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one has a molecular weight of 197.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-6,6,6-trifluoro-3-methyl-3-(methylamino)hexan-2-one is sourced from PubChem (CID 131968819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).