2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one

C7H12F3NO — CID 116592863

IUPAC2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3
InChIKeyRZKNWWKHBBLDCO-UHFFFAOYSA-N
MW183.17 g/mol
LogP1.49
Rot. Bonds2

About 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one

2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one (PubChem CID 116592863) has the molecular formula C7H12F3NO and a molecular weight of 183.17 g/mol. Its IUPAC name is 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one.

Molecular Properties

Compound Name2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one
PubChem CID116592863
Molecular FormulaC7H12F3NO
Molecular Weight183.17 g/mol
Exact Mass183.09
IUPAC Name2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one
SMILESCC(C)C(=O)C(C)(N)C(F)(F)F
InChIInChI=1S/C7H12F3NO/c1-4(2)5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3
InChIKeyRZKNWWKHBBLDCO-UHFFFAOYSA-N
XLogP1.49
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.17
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one with MolForge

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

Launch Full Analysis

Related Compounds

CID 59446294
CID 59446294
CID 11241672
CID 11241672
CID 54064600
CID 54064600
CID 54176576
CID 54176576
CID 54343595
CID 54343595
CID 54419200
CID 54419200
CID 57740232
CID 57740232
CID 59581034
CID 59581034
CID 89045010
CID 89045010
CID 89174595
CID 89174595
CID 116592865
CID 116592865
CID 151791825
CID 151791825

Frequently Asked Questions

What is the IUPAC name of 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one?
The IUPAC name of 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one (CID 116592863) is 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one.
What is the SMILES notation for 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one?
The canonical SMILES for 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one is CC(C)C(=O)C(C)(N)C(F)(F)F.
What is the InChIKey of 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one?
The InChIKey is RZKNWWKHBBLDCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12F3NO/c1-4(2)5(12)6(3,11)7(8,9)10/h4H,11H2,1-3H3.
What are the key properties of 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one?
2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one has a molecular weight of 183.17 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1,1,1-trifluoro-2,4-dimethylpentan-3-one is sourced from PubChem (CID 116592863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).