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

C14H11ClF3NO — CID 57005137

IUPAC5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c15-5-4-9-7-11(19)12(13(9)20)8-2-1-3-10(6-8)14(16,17)18/h1-6,9,12,19H,7H2/b5-4?,19-11+
InChIKeyQIWNSXYECYOPKF-OMGOBSKVSA-N
MW301.70 g/mol
LogP4.15
Rot. Bonds2

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

5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57005137) has the molecular formula C14H11ClF3NO and a molecular weight of 301.70 g/mol. Its IUPAC name is 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57005137
Molecular FormulaC14H11ClF3NO
Molecular Weight301.70 g/mol
Exact Mass301.05
IUPAC Name5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILES[H]/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C14H11ClF3NO/c15-5-4-9-7-11(19)12(13(9)20)8-2-1-3-10(6-8)14(16,17)18/h1-6,9,12,19H,7H2/b5-4?,19-11+
InChIKeyQIWNSXYECYOPKF-OMGOBSKVSA-N
XLogP4.15
TPSA40.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.70
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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
2-[3-Chloro-5-(trifluoromethyl)phenyl]-5-ethyl-3-iminocyclopentan-1-one
CID 56988158
3-Imino-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56991004
2-[3-Chloro-5-(trifluoromethyl)phenyl]-3-imino-5-phenylcyclopentan-1-one
CID 56991812
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
5-Ethyl-3-ethylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57046236
3-Ethylimino-5-propyl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57054178
3-Imino-2-[4-methyl-3-(trifluoromethyl)phenyl]-5-phenylcyclopentan-1-one
CID 57061320
3-imino-5-(1H-inden-1-yl)-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 57068050

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57005137) is 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is [H]/N=C1\CC(C=CCl)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is QIWNSXYECYOPKF-OMGOBSKVSA-N. The full InChI is InChI=1S/C14H11ClF3NO/c15-5-4-9-7-11(19)12(13(9)20)8-2-1-3-10(6-8)14(16,17)18/h1-6,9,12,19H,7H2/b5-4?,19-11+.
What are the key properties of 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 301.70 g/mol, XLogP of 4.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroethenyl)-3-imino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57005137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).