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

C20H18F3NO — CID 57041257

IUPAC3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,18H,2,12H2,1H3/b24-17+
InChIKeyYHQFRQURMQUUCX-JJIBRWJFSA-N
MW345.36 g/mol
LogP5.01
Rot. Bonds3

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

3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57041257) has the molecular formula C20H18F3NO and a molecular weight of 345.36 g/mol. Its IUPAC name is 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57041257
Molecular FormulaC20H18F3NO
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Name3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,18H,2,12H2,1H3/b24-17+
InChIKeyYHQFRQURMQUUCX-JJIBRWJFSA-N
XLogP5.01
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.36
LogP ≤ 55.01
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
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
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
3-Imino-5-methyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57034527
5-Cyclopentyl-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57036328

Frequently Asked Questions

What is the IUPAC name of 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57041257) is 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is YHQFRQURMQUUCX-JJIBRWJFSA-N. The full InChI is InChI=1S/C20H18F3NO/c1-2-24-17-12-16(13-7-4-3-5-8-13)19(25)18(17)14-9-6-10-15(11-14)20(21,22)23/h3-11,16,18H,2,12H2,1H3/b24-17+.
What are the key properties of 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 345.36 g/mol, XLogP of 5.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-5-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57041257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).