4-cycloheptylimino-1,1,1-trifluoropentan-2-one

C12H18F3NO — CID 7392635

IUPAC4-cycloheptylimino-1,1,1-trifluoropentan-2-one
SMILESC/C(CC(=O)C(F)(F)F)=N\C1CCCCCC1
InChIInChI=1S/C12H18F3NO/c1-9(8-11(17)12(13,14)15)16-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3/b16-9+
InChIKeyGRAFIEJPOKXIHB-CXUHLZMHSA-N
MW249.28 g/mol
LogP3.69
Rot. Bonds3

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

4-cycloheptylimino-1,1,1-trifluoropentan-2-one (PubChem CID 7392635) has the molecular formula C12H18F3NO and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-cycloheptylimino-1,1,1-trifluoropentan-2-one.

Molecular Properties

Compound Name4-cycloheptylimino-1,1,1-trifluoropentan-2-one
PubChem CID7392635
Molecular FormulaC12H18F3NO
Molecular Weight249.28 g/mol
Exact Mass249.13
IUPAC Name4-cycloheptylimino-1,1,1-trifluoropentan-2-one
SMILESC/C(CC(=O)C(F)(F)F)=N\C1CCCCCC1
InChIInChI=1S/C12H18F3NO/c1-9(8-11(17)12(13,14)15)16-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3/b16-9+
InChIKeyGRAFIEJPOKXIHB-CXUHLZMHSA-N
XLogP3.69
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-Cyclohexylimino-1,1,1-trifluoropentan-2-one
CID 7070559
1,1,1,5,5,5-Hexafluoro-4-hexyliminopentan-2-one
CID 101035310

Frequently Asked Questions

What is the IUPAC name of 4-cycloheptylimino-1,1,1-trifluoropentan-2-one?
The IUPAC name of 4-cycloheptylimino-1,1,1-trifluoropentan-2-one (CID 7392635) is 4-cycloheptylimino-1,1,1-trifluoropentan-2-one.
What is the SMILES notation for 4-cycloheptylimino-1,1,1-trifluoropentan-2-one?
The canonical SMILES for 4-cycloheptylimino-1,1,1-trifluoropentan-2-one is C/C(CC(=O)C(F)(F)F)=N\C1CCCCCC1.
What is the InChIKey of 4-cycloheptylimino-1,1,1-trifluoropentan-2-one?
The InChIKey is GRAFIEJPOKXIHB-CXUHLZMHSA-N. The full InChI is InChI=1S/C12H18F3NO/c1-9(8-11(17)12(13,14)15)16-10-6-4-2-3-5-7-10/h10H,2-8H2,1H3/b16-9+.
What are the key properties of 4-cycloheptylimino-1,1,1-trifluoropentan-2-one?
4-cycloheptylimino-1,1,1-trifluoropentan-2-one has a molecular weight of 249.28 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cycloheptylimino-1,1,1-trifluoropentan-2-one is sourced from PubChem (CID 7392635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).