4-cyclohexylimino-1,1,1-trifluoropentan-2-one

C11H16F3NO — CID 7070559

IUPAC4-cyclohexylimino-1,1,1-trifluoropentan-2-one
SMILESC/C(CC(=O)C(F)(F)F)=N\C1CCCCC1
InChIInChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h9H,2-7H2,1H3/b15-8+
InChIKeyBRUFJJPDSXNCSU-OVCLIPMQSA-N
MW235.25 g/mol
LogP3.30
Rot. Bonds3

About 4-cyclohexylimino-1,1,1-trifluoropentan-2-one

4-cyclohexylimino-1,1,1-trifluoropentan-2-one (PubChem CID 7070559) has the molecular formula C11H16F3NO and a molecular weight of 235.25 g/mol. Its IUPAC name is 4-cyclohexylimino-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name4-cyclohexylimino-1,1,1-trifluoropentan-2-one
PubChem CID7070559
Molecular FormulaC11H16F3NO
Molecular Weight235.25 g/mol
Exact Mass235.12
IUPAC Name4-cyclohexylimino-1,1,1-trifluoropentan-2-one
SMILESC/C(CC(=O)C(F)(F)F)=N\C1CCCCC1
InChIInChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h9H,2-7H2,1H3/b15-8+
InChIKeyBRUFJJPDSXNCSU-OVCLIPMQSA-N
XLogP3.30
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.25
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-cyclohexylimino-1,1,1-trifluoropentan-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

Related Compounds

1,1,1,2,2-Pentafluoro-5-propan-2-yliminohexan-3-one
CID 7147144
1,1,1-Trifluoro-4-propan-2-yliminopentan-2-one
CID 7147347
4-Cycloheptylimino-1,1,1-trifluoropentan-2-one
CID 7392635
4-Cyclohexylimino-1,1,1,5,5,5-hexafluoropentan-2-one
CID 101035309
1,1,1,5,5,5-Hexafluoro-4-hexyliminopentan-2-one
CID 101035310
4-(Cyclohexylimino)pentan-2-one
CID 20512965
2-Cyclohexyliminopentan-3-one
CID 141041761
3-Cyclohexyliminobutan-2-one
CID 21795196

Frequently Asked Questions

What is the IUPAC name of 4-cyclohexylimino-1,1,1-trifluoropentan-2-one?
The IUPAC name of 4-cyclohexylimino-1,1,1-trifluoropentan-2-one (CID 7070559) is 4-cyclohexylimino-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 4-cyclohexylimino-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 4-cyclohexylimino-1,1,1-trifluoropentan-2-one is C/C(CC(=O)C(F)(F)F)=N\C1CCCCC1.
What is the InChIKey of 4-cyclohexylimino-1,1,1-trifluoropentan-2-one?
The InChIKey is BRUFJJPDSXNCSU-OVCLIPMQSA-N. The full InChI is InChI=1S/C11H16F3NO/c1-8(7-10(16)11(12,13)14)15-9-5-3-2-4-6-9/h9H,2-7H2,1H3/b15-8+.
What are the key properties of 4-cyclohexylimino-1,1,1-trifluoropentan-2-one?
4-cyclohexylimino-1,1,1-trifluoropentan-2-one has a molecular weight of 235.25 g/mol, XLogP of 3.30, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclohexylimino-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 7070559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).