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

C24H20F3NO — CID 57127372

IUPAC3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,22H,2,14H2,1H3/b28-21+
InChIKeyDPGOKPDLKUETKF-SGWCAAJKSA-N
MW395.42 g/mol
LogP6.16
Rot. Bonds3

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

3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (PubChem CID 57127372) has the molecular formula C24H20F3NO and a molecular weight of 395.42 g/mol. Its IUPAC name is 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.

Molecular Properties

Compound Name3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
PubChem CID57127372
Molecular FormulaC24H20F3NO
Molecular Weight395.42 g/mol
Exact Mass395.15
IUPAC Name3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one
SMILESCC/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1
InChIInChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,22H,2,14H2,1H3/b28-21+
InChIKeyDPGOKPDLKUETKF-SGWCAAJKSA-N
XLogP6.16
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.42
LogP ≤ 56.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The IUPAC name of 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one (CID 57127372) is 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one.
What is the SMILES notation for 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The canonical SMILES for 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is CC/N=C1\CC(c2cccc3ccccc23)C(=O)C1c1cccc(C(F)(F)F)c1.
What is the InChIKey of 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
The InChIKey is DPGOKPDLKUETKF-SGWCAAJKSA-N. The full InChI is InChI=1S/C24H20F3NO/c1-2-28-21-14-20(19-12-6-8-15-7-3-4-11-18(15)19)23(29)22(21)16-9-5-10-17(13-16)24(25,26)27/h3-13,20,22H,2,14H2,1H3/b28-21+.
What are the key properties of 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one?
3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one has a molecular weight of 395.42 g/mol, XLogP of 6.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethylimino-5-naphthalen-1-yl-2-[3-(trifluoromethyl)phenyl]cyclopentan-1-one is sourced from PubChem (CID 57127372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).