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

C8H14F3NO — CID 116566535

IUPAC6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one
SMILESCNC(C)(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,12-3)6(13)4-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyFABMKCDNRRJZGV-UHFFFAOYSA-N
MW197.20 g/mol
LogP1.90
Rot. Bonds4

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

6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one (PubChem CID 116566535) has the molecular formula C8H14F3NO and a molecular weight of 197.20 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one
PubChem CID116566535
Molecular FormulaC8H14F3NO
Molecular Weight197.20 g/mol
Exact Mass197.10
IUPAC Name6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one
SMILESCNC(C)(C)C(=O)CCC(F)(F)F
InChIInChI=1S/C8H14F3NO/c1-7(2,12-3)6(13)4-5-8(9,10)11/h12H,4-5H2,1-3H3
InChIKeyFABMKCDNRRJZGV-UHFFFAOYSA-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 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one (CID 116566535) is 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one is CNC(C)(C)C(=O)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one?
The InChIKey is FABMKCDNRRJZGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO/c1-7(2,12-3)6(13)4-5-8(9,10)11/h12H,4-5H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one?
6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-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 6,6,6-trifluoro-2-methyl-2-(methylamino)hexan-3-one is sourced from PubChem (CID 116566535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).