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

C19H16F3NO2 — CID 57186047

IUPAC3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)25-19(20,21)22/h2-10,15,17H,11H2,1H3/b23-16+
InChIKeyUGKCVXDMEUDOTH-XQNSMLJCSA-N
MW347.34 g/mol
LogP4.50
Rot. Bonds3

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

3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one (PubChem CID 57186047) has the molecular formula C19H16F3NO2 and a molecular weight of 347.34 g/mol. Its IUPAC name is 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
PubChem CID57186047
Molecular FormulaC19H16F3NO2
Molecular Weight347.34 g/mol
Exact Mass347.11
IUPAC Name3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one
SMILESC/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(OC(F)(F)F)c1
InChIInChI=1S/C19H16F3NO2/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)25-19(20,21)22/h2-10,15,17H,11H2,1H3/b23-16+
InChIKeyUGKCVXDMEUDOTH-XQNSMLJCSA-N
XLogP4.50
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 54.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The IUPAC name of 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one (CID 57186047) is 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one is C/N=C1\CC(c2ccccc2)C(=O)C1c1cccc(OC(F)(F)F)c1.
What is the InChIKey of 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
The InChIKey is UGKCVXDMEUDOTH-XQNSMLJCSA-N. The full InChI is InChI=1S/C19H16F3NO2/c1-23-16-11-15(12-6-3-2-4-7-12)18(24)17(16)13-8-5-9-14(10-13)25-19(20,21)22/h2-10,15,17H,11H2,1H3/b23-16+.
What are the key properties of 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one?
3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one has a molecular weight of 347.34 g/mol, XLogP of 4.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylimino-5-phenyl-2-[3-(trifluoromethoxy)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57186047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).