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

C15H16F3NO — CID 57194570

IUPAC5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,13H,3,8H2,1-2H3/b19-12+
InChIKeyBSRSBKMDFVGGMH-XDHOZWIPSA-N
MW283.29 g/mol
LogP3.86
Rot. Bonds2

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

5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57194570) has the molecular formula C15H16F3NO and a molecular weight of 283.29 g/mol. Its IUPAC name is 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57194570
Molecular FormulaC15H16F3NO
Molecular Weight283.29 g/mol
Exact Mass283.12
IUPAC Name5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O
InChIInChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,13H,3,8H2,1-2H3/b19-12+
InChIKeyBSRSBKMDFVGGMH-XDHOZWIPSA-N
XLogP3.86
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 53.86
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

5-(2-chloroethenyl)-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
CID 56977519
2-ethyl-3-[3-(trifluoromethyl)phenyl]cyclobutan-1-one
CID 81416408
methyl 2-[[3-oxo-4-phenyl-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57251375
methyl 2-[[4-naphthalen-1-yl-3-oxo-2-[3-(trifluoromethyl)phenyl]cyclopentylidene]amino]butanoate
CID 57088484
3,3,6,6-tetramethyl-9-[3-(trifluoromethyl)phenyl]-2,4,5,7,9,10-hexahydroacridine-1,8-dione
CID 1147848
(3R,4R)-4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71351790
4-ethyl-1,3-bis[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 71341015
2-[2-methoxy-3-(trifluoromethyl)phenyl]-3-methylimino-5-prop-2-enylcyclopentan-1-one
CID 57288293
1-ethyl-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxamide
CID 175894440
1-cyclopropyl-3-(trifluoromethyl)benzene
CID 12509713
5-ethyl-3-(ethylamino)-2-[3-(trifluoromethyl)phenyl]cyclopent-2-en-1-one
CID 22153153
trans-ethyl (1S,2S)-2-[3-(trifluoromethyl)phenyl]cyclopropane-1-carboxylate
CID 90226075

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57194570) is 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CCC1C/C(=N\C)C(c2cccc(C(F)(F)F)c2)C1=O.
What is the InChIKey of 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is BSRSBKMDFVGGMH-XDHOZWIPSA-N. The full InChI is InChI=1S/C15H16F3NO/c1-3-9-8-12(19-2)13(14(9)20)10-5-4-6-11(7-10)15(16,17)18/h4-7,9,13H,3,8H2,1-2H3/b19-12+.
What are the key properties of 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 283.29 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-3-methylimino-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57194570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).