5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

C16H18F3NO — CID 57046236

IUPAC5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(CC)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,14H,3-4,9H2,1-2H3/b20-13+
InChIKeyNZDAWAADDGMZLW-DEDYPNTBSA-N
MW297.32 g/mol
LogP4.25
Rot. Bonds3

About 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one

5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57046236) has the molecular formula C16H18F3NO and a molecular weight of 297.32 g/mol. Its IUPAC name is 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57046236
Molecular FormulaC16H18F3NO
Molecular Weight297.32 g/mol
Exact Mass297.13
IUPAC Name5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(CC)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,14H,3-4,9H2,1-2H3/b20-13+
InChIKeyNZDAWAADDGMZLW-DEDYPNTBSA-N
XLogP4.25
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 54.25
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

3-(Methyliminomethyl)-1-[3-(trifluoromethyl)phenyl]pentane-2,4-dione
CID 53912427
3-Imino-5-(propoxymethylidene)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56976419
5-(2-Chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56977519
3-Imino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56985728
Methyl 2-[[4-methyl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]acetate
CID 56986426
2-(3-Fluoro-2-iodophenyl)-3-methylimino-5-phenylcyclopentan-1-one
CID 56989006
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
2-[3-Chloro-5-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
CID 57003531
Methyl 2-[[3-oxo-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]acetate
CID 57004195
5-(2-Chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57005137
2-[2-Bromo-3-(trifluoromethyl)phenyl]-3-methylimino-5-phenylcyclopentan-1-one
CID 57026765
3-Methylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57028376

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57046236) is 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CC/N=C1\CC(CC)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is NZDAWAADDGMZLW-DEDYPNTBSA-N. The full InChI is InChI=1S/C16H18F3NO/c1-3-10-9-13(20-4-2)14(15(10)21)11-6-5-7-12(8-11)16(17,18)19/h5-8,10,14H,3-4,9H2,1-2H3/b20-13+.
What are the key properties of 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 297.32 g/mol, XLogP of 4.25, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57046236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).