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

C17H20F3NO — CID 57054178

IUPAC3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCCC1C/C(=N\CC)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H20F3NO/c1-3-6-12-10-14(21-4-2)15(16(12)22)11-7-5-8-13(9-11)17(18,19)20/h5,7-9,12,15H,3-4,6,10H2,1-2H3/b21-14+
InChIKeyDPPSZFAFOYQVBL-KGENOOAVSA-N
MW311.35 g/mol
LogP4.64
Rot. Bonds4

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

3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57054178) has the molecular formula C17H20F3NO and a molecular weight of 311.35 g/mol. Its IUPAC name is 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57054178
Molecular FormulaC17H20F3NO
Molecular Weight311.35 g/mol
Exact Mass311.15
IUPAC Name3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCCC1C/C(=N\CC)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C17H20F3NO/c1-3-6-12-10-14(21-4-2)15(16(12)22)11-7-5-8-13(9-11)17(18,19)20/h5,7-9,12,15H,3-4,6,10H2,1-2H3/b21-14+
InChIKeyDPPSZFAFOYQVBL-KGENOOAVSA-N
XLogP4.64
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.35
LogP ≤ 54.64
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 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57054178) is 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CCCC1C/C(=N\CC)C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is DPPSZFAFOYQVBL-KGENOOAVSA-N. The full InChI is InChI=1S/C17H20F3NO/c1-3-6-12-10-14(21-4-2)15(16(12)22)11-7-5-8-13(9-11)17(18,19)20/h5,7-9,12,15H,3-4,6,10H2,1-2H3/b21-14+.
What are the key properties of 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 311.35 g/mol, XLogP of 4.64, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57054178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).