1,3,4-trifluoro-5-(methylamino)pentan-2-one

C6H10F3NO — CID 89251970

IUPAC1,3,4-trifluoro-5-(methylamino)pentan-2-one
SMILESCNCC(F)C(F)C(=O)CF
InChIInChI=1S/C6H10F3NO/c1-10-3-4(8)6(9)5(11)2-7/h4,6,10H,2-3H2,1H3
InChIKeyDWUQBCKMEAYOSA-UHFFFAOYSA-N
MW169.15 g/mol
LogP0.42
Rot. Bonds5

About 1,3,4-trifluoro-5-(methylamino)pentan-2-one

1,3,4-trifluoro-5-(methylamino)pentan-2-one (PubChem CID 89251970) has the molecular formula C6H10F3NO and a molecular weight of 169.15 g/mol. Its IUPAC name is 1,3,4-trifluoro-5-(methylamino)pentan-2-one.

Molecular Properties

Compound Name1,3,4-trifluoro-5-(methylamino)pentan-2-one
PubChem CID89251970
Molecular FormulaC6H10F3NO
Molecular Weight169.15 g/mol
Exact Mass169.07
IUPAC Name1,3,4-trifluoro-5-(methylamino)pentan-2-one
SMILESCNCC(F)C(F)C(=O)CF
InChIInChI=1S/C6H10F3NO/c1-10-3-4(8)6(9)5(11)2-7/h4,6,10H,2-3H2,1H3
InChIKeyDWUQBCKMEAYOSA-UHFFFAOYSA-N
XLogP0.42
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.15
LogP ≤ 50.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1,3,4-trifluoro-5-(methylamino)pentan-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1,3,4-trifluoro-5-(methylamino)pentan-2-one?
The IUPAC name of 1,3,4-trifluoro-5-(methylamino)pentan-2-one (CID 89251970) is 1,3,4-trifluoro-5-(methylamino)pentan-2-one.
What is the SMILES notation for 1,3,4-trifluoro-5-(methylamino)pentan-2-one?
The canonical SMILES for 1,3,4-trifluoro-5-(methylamino)pentan-2-one is CNCC(F)C(F)C(=O)CF.
What is the InChIKey of 1,3,4-trifluoro-5-(methylamino)pentan-2-one?
The InChIKey is DWUQBCKMEAYOSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10F3NO/c1-10-3-4(8)6(9)5(11)2-7/h4,6,10H,2-3H2,1H3.
What are the key properties of 1,3,4-trifluoro-5-(methylamino)pentan-2-one?
1,3,4-trifluoro-5-(methylamino)pentan-2-one has a molecular weight of 169.15 g/mol, XLogP of 0.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4-trifluoro-5-(methylamino)pentan-2-one is sourced from PubChem (CID 89251970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).