2-amino-8,8,8-trifluoro-2-methyloctan-4-one

C9H16F3NO — CID 116581149

IUPAC2-amino-8,8,8-trifluoro-2-methyloctan-4-one
SMILESCC(C)(N)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,13)6-7(14)4-3-5-9(10,11)12/h3-6,13H2,1-2H3
InChIKeyTUEXJBNPEACKNV-UHFFFAOYSA-N
MW211.23 g/mol
LogP2.42
Rot. Bonds5

About 2-amino-8,8,8-trifluoro-2-methyloctan-4-one

2-amino-8,8,8-trifluoro-2-methyloctan-4-one (PubChem CID 116581149) has the molecular formula C9H16F3NO and a molecular weight of 211.23 g/mol. Its IUPAC name is 2-amino-8,8,8-trifluoro-2-methyloctan-4-one.

Molecular Properties

Compound Name2-amino-8,8,8-trifluoro-2-methyloctan-4-one
PubChem CID116581149
Molecular FormulaC9H16F3NO
Molecular Weight211.23 g/mol
Exact Mass211.12
IUPAC Name2-amino-8,8,8-trifluoro-2-methyloctan-4-one
SMILESCC(C)(N)CC(=O)CCCC(F)(F)F
InChIInChI=1S/C9H16F3NO/c1-8(2,13)6-7(14)4-3-5-9(10,11)12/h3-6,13H2,1-2H3
InChIKeyTUEXJBNPEACKNV-UHFFFAOYSA-N
XLogP2.42
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.23
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-amino-8,8,8-trifluoro-2-methyloctan-4-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

6-amino-1,1,1-trifluoro-6-methylheptan-4-one
CID 116581208
9-amino-1,1,1-trifluorononan-5-one
CID 116572046
7,7,7-trifluoro-2-methyl-2-(methylamino)heptan-3-one
CID 116566472
1-(diethylamino)-7,7,7-trifluoroheptan-3-one
CID 115515964
7,7,7-trifluoro-1-(propan-2-ylamino)heptan-3-one
CID 116556500
11,11,11-trifluoroundecane-4,6-dione
CID 175186134
8,8,8-trifluoro-4-hydroxy-4-methyloctanoic acid
CID 116536112
1,1,1-trifluorooctan-4-one
CID 79404361
1,1,1-trifluoroundecan-3-one
CID 62620056
11-bromo-1,1,1-trifluoroundecan-6-one
CID 125481301
1,1,1-trifluorotridecan-3-one
CID 14914275
2-amino-1,1,1,6,6,6-hexafluoro-2-methylhexan-3-one
CID 116593115

Frequently Asked Questions

What is the IUPAC name of 2-amino-8,8,8-trifluoro-2-methyloctan-4-one?
The IUPAC name of 2-amino-8,8,8-trifluoro-2-methyloctan-4-one (CID 116581149) is 2-amino-8,8,8-trifluoro-2-methyloctan-4-one.
What is the SMILES notation for 2-amino-8,8,8-trifluoro-2-methyloctan-4-one?
The canonical SMILES for 2-amino-8,8,8-trifluoro-2-methyloctan-4-one is CC(C)(N)CC(=O)CCCC(F)(F)F.
What is the InChIKey of 2-amino-8,8,8-trifluoro-2-methyloctan-4-one?
The InChIKey is TUEXJBNPEACKNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO/c1-8(2,13)6-7(14)4-3-5-9(10,11)12/h3-6,13H2,1-2H3.
What are the key properties of 2-amino-8,8,8-trifluoro-2-methyloctan-4-one?
2-amino-8,8,8-trifluoro-2-methyloctan-4-one has a molecular weight of 211.23 g/mol, XLogP of 2.42, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8,8,8-trifluoro-2-methyloctan-4-one is sourced from PubChem (CID 116581149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).