2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one

C9H16F3NO — CID 130457187

IUPAC2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)7(14)8(3,4)13-5-9(10,11)12/h6,13H,5H2,1-4H3
InChIKeyFZEQOOZDLRGRSL-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.14
Rot. Bonds4

About 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one

2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one (PubChem CID 130457187) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one.

Molecular Properties

Compound Name2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
PubChem CID130457187
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one
SMILESCC(C)C(=O)C(C)(C)NCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-6(2)7(14)8(3,4)13-5-9(10,11)12/h6,13H,5H2,1-4H3
InChIKeyFZEQOOZDLRGRSL-UHFFFAOYSA-N
XLogP2.14
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The IUPAC name of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one (CID 130457187) is 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one.
What is the SMILES notation for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The canonical SMILES for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one is CC(C)C(=O)C(C)(C)NCC(F)(F)F.
What is the InChIKey of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
The InChIKey is FZEQOOZDLRGRSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-6(2)7(14)8(3,4)13-5-9(10,11)12/h6,13H,5H2,1-4H3.
What are the key properties of 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one?
2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one has a molecular weight of 211.23 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-2-(2,2,2-trifluoroethylamino)pentan-3-one is sourced from PubChem (CID 130457187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).