5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one

C24H14F8N2O3 — CID 90860907

IUPAC5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one
SMILESO=C1/C(=N/c2ccc(OC(F)(F)F)cc2)CC(c2cc(F)cc(F)c2)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H14F8N2O3/c25-14-9-13(10-15(26)11-14)21-12-20(33-16-1-5-18(6-2-16)36-23(27,28)29)22(35)34(21)17-3-7-19(8-4-17)37-24(30,31)32/h1-11,21H,12H2/b33-20+
InChIKeyDFTCPRIUYYPQGC-FMFFXOCNSA-N
MW530.37 g/mol
LogP7.01
Rot. Bonds5

About 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one

5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one (PubChem CID 90860907) has the molecular formula C24H14F8N2O3 and a molecular weight of 530.37 g/mol. Its IUPAC name is 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one.

Molecular Properties

Compound Name5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one
PubChem CID90860907
Molecular FormulaC24H14F8N2O3
Molecular Weight530.37 g/mol
Exact Mass530.09
IUPAC Name5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one
SMILESO=C1/C(=N/c2ccc(OC(F)(F)F)cc2)CC(c2cc(F)cc(F)c2)N1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C24H14F8N2O3/c25-14-9-13(10-15(26)11-14)21-12-20(33-16-1-5-18(6-2-16)36-23(27,28)29)22(35)34(21)17-3-7-19(8-4-17)37-24(30,31)32/h1-11,21H,12H2/b33-20+
InChIKeyDFTCPRIUYYPQGC-FMFFXOCNSA-N
XLogP7.01
TPSA51.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.37
LogP ≤ 57.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one?
The IUPAC name of 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one (CID 90860907) is 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one.
What is the SMILES notation for 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one?
The canonical SMILES for 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one is O=C1/C(=N/c2ccc(OC(F)(F)F)cc2)CC(c2cc(F)cc(F)c2)N1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one?
The InChIKey is DFTCPRIUYYPQGC-FMFFXOCNSA-N. The full InChI is InChI=1S/C24H14F8N2O3/c25-14-9-13(10-15(26)11-14)21-12-20(33-16-1-5-18(6-2-16)36-23(27,28)29)22(35)34(21)17-3-7-19(8-4-17)37-24(30,31)32/h1-11,21H,12H2/b33-20+.
What are the key properties of 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one?
5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one has a molecular weight of 530.37 g/mol, XLogP of 7.01, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-difluorophenyl)-1-[4-(trifluoromethoxy)phenyl]-3-[4-(trifluoromethoxy)phenyl]iminopyrrolidin-2-one is sourced from PubChem (CID 90860907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).