1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

C17H12F5NO3 — CID 144963441

IUPAC1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(OCc2cc(F)c(C(F)(F)F)c(F)c2)C1=O
InChIInChI=1S/C17H12F5NO3/c1-3-5-11-10(4-2)15(24)23(16(11)25)26-8-9-6-12(18)14(13(19)7-9)17(20,21)22/h3-7H,2,8H2,1H3/b5-3-
InChIKeyFUYZLJIGHLBHED-HYXAFXHYSA-N
MW373.28 g/mol
LogP3.84
Rot. Bonds5

About 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione

1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (PubChem CID 144963441) has the molecular formula C17H12F5NO3 and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
PubChem CID144963441
Molecular FormulaC17H12F5NO3
Molecular Weight373.28 g/mol
Exact Mass373.07
IUPAC Name1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione
SMILESC=CC1=C(/C=C\C)C(=O)N(OCc2cc(F)c(C(F)(F)F)c(F)c2)C1=O
InChIInChI=1S/C17H12F5NO3/c1-3-5-11-10(4-2)15(24)23(16(11)25)26-8-9-6-12(18)14(13(19)7-9)17(20,21)22/h3-7H,2,8H2,1H3/b5-3-
InChIKeyFUYZLJIGHLBHED-HYXAFXHYSA-N
XLogP3.84
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.28
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The IUPAC name of 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione (CID 144963441) is 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is C=CC1=C(/C=C\C)C(=O)N(OCc2cc(F)c(C(F)(F)F)c(F)c2)C1=O.
What is the InChIKey of 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
The InChIKey is FUYZLJIGHLBHED-HYXAFXHYSA-N. The full InChI is InChI=1S/C17H12F5NO3/c1-3-5-11-10(4-2)15(24)23(16(11)25)26-8-9-6-12(18)14(13(19)7-9)17(20,21)22/h3-7H,2,8H2,1H3/b5-3-.
What are the key properties of 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione?
1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione has a molecular weight of 373.28 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3,5-difluoro-4-(trifluoromethyl)phenyl]methoxy]-3-ethenyl-4-[(Z)-prop-1-enyl]pyrrole-2,5-dione is sourced from PubChem (CID 144963441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).