5-(dimethylamino)-1,1,1-trifluoropentan-2-one

C7H12F3NO — CID 19005120

IUPAC5-(dimethylamino)-1,1,1-trifluoropentan-2-one
SMILESCN(C)CCCC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11(2)5-3-4-6(12)7(8,9)10/h3-5H2,1-2H3
InChIKeyZEQRNQMNYWILCN-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.46
Rot. Bonds4

About 5-(dimethylamino)-1,1,1-trifluoropentan-2-one

5-(dimethylamino)-1,1,1-trifluoropentan-2-one (PubChem CID 19005120) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 5-(dimethylamino)-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name5-(dimethylamino)-1,1,1-trifluoropentan-2-one
PubChem CID19005120
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name5-(dimethylamino)-1,1,1-trifluoropentan-2-one
SMILESCN(C)CCCC(=O)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-11(2)5-3-4-6(12)7(8,9)10/h3-5H2,1-2H3
InChIKeyZEQRNQMNYWILCN-UHFFFAOYSA-N
XLogP1.46
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(dimethylamino)-5,5-difluoroheptan-4-one
CID 158665123
N-[2-(dimethylamino)ethyl]-4,4,4-trifluoro-N-methyl-3-oxobutanamide
CID 110479366
4-[2-(dimethylamino)ethylimino]-1,1,1,5,5,5-hexafluoropentan-2-one
CID 12988238
6-(dimethylamino)hexane-2,3-dione
CID 164832237
4-(dimethylamino)butanoic acid;molecular chlorine
CID 174526336
5-(dimethylamino)pentan-2-one;ethane;methane
CID 153399889
6-(dimethylamino)-2-methyl-2-(2-methylpropylamino)hexan-3-one
CID 163571102
1-amino-5-(dimethylamino)pentan-2-one
CID 160666073
8-amino-1,1,1-trifluorooctan-2-one
CID 87826249
5-(2-butoxyethoxy)-1,1,1-trifluoropentan-2-one
CID 157126215
6-(dimethylamino)-3-oxohexanoic acid
CID 174931957
copper;1,1,1,5,5,5-hexafluoropentane-2,4-dione
CID 15360935

Frequently Asked Questions

What is the IUPAC name of 5-(dimethylamino)-1,1,1-trifluoropentan-2-one?
The IUPAC name of 5-(dimethylamino)-1,1,1-trifluoropentan-2-one (CID 19005120) is 5-(dimethylamino)-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 5-(dimethylamino)-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 5-(dimethylamino)-1,1,1-trifluoropentan-2-one is CN(C)CCCC(=O)C(F)(F)F.
What is the InChIKey of 5-(dimethylamino)-1,1,1-trifluoropentan-2-one?
The InChIKey is ZEQRNQMNYWILCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-11(2)5-3-4-6(12)7(8,9)10/h3-5H2,1-2H3.
What are the key properties of 5-(dimethylamino)-1,1,1-trifluoropentan-2-one?
5-(dimethylamino)-1,1,1-trifluoropentan-2-one has a molecular weight of 183.17 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(dimethylamino)-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 19005120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).