3-(dimethylamino)-1,1,1-trifluoropropan-2-one

C5H8F3NO — CID 78909280

IUPAC3-(dimethylamino)-1,1,1-trifluoropropan-2-one
SMILESCN(C)CC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-9(2)3-4(10)5(6,7)8/h3H2,1-2H3
InChIKeySBMZIYHMSHZRNI-UHFFFAOYSA-N
MW155.12 g/mol
LogP0.68
Rot. Bonds2

About 3-(dimethylamino)-1,1,1-trifluoropropan-2-one

3-(dimethylamino)-1,1,1-trifluoropropan-2-one (PubChem CID 78909280) has the molecular formula C5H8F3NO and a molecular weight of 155.12 g/mol. Its IUPAC name is 3-(dimethylamino)-1,1,1-trifluoropropan-2-one.

Molecular Properties

Compound Name3-(dimethylamino)-1,1,1-trifluoropropan-2-one
PubChem CID78909280
Molecular FormulaC5H8F3NO
Molecular Weight155.12 g/mol
Exact Mass155.06
IUPAC Name3-(dimethylamino)-1,1,1-trifluoropropan-2-one
SMILESCN(C)CC(=O)C(F)(F)F
InChIInChI=1S/C5H8F3NO/c1-9(2)3-4(10)5(6,7)8/h3H2,1-2H3
InChIKeySBMZIYHMSHZRNI-UHFFFAOYSA-N
XLogP0.68
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.12
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-1,1,1-trifluoropropan-2-one?
The IUPAC name of 3-(dimethylamino)-1,1,1-trifluoropropan-2-one (CID 78909280) is 3-(dimethylamino)-1,1,1-trifluoropropan-2-one.
What is the SMILES notation for 3-(dimethylamino)-1,1,1-trifluoropropan-2-one?
The canonical SMILES for 3-(dimethylamino)-1,1,1-trifluoropropan-2-one is CN(C)CC(=O)C(F)(F)F.
What is the InChIKey of 3-(dimethylamino)-1,1,1-trifluoropropan-2-one?
The InChIKey is SBMZIYHMSHZRNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F3NO/c1-9(2)3-4(10)5(6,7)8/h3H2,1-2H3.
What are the key properties of 3-(dimethylamino)-1,1,1-trifluoropropan-2-one?
3-(dimethylamino)-1,1,1-trifluoropropan-2-one has a molecular weight of 155.12 g/mol, XLogP of 0.68, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-1,1,1-trifluoropropan-2-one is sourced from PubChem (CID 78909280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).