1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene

C15H10F3NO3 — CID 44580462

IUPAC1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F3NO3/c1-22-14-5-4-9(8-13(14)19(20)21)2-3-10-6-11(16)15(18)12(17)7-10/h2-8H,1H3/b3-2-
InChIKeyFAJYSVVZMRUMJE-IHWYPQMZSA-N
MW309.24 g/mol
LogP4.19
Rot. Bonds4

About 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene

1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene (PubChem CID 44580462) has the molecular formula C15H10F3NO3 and a molecular weight of 309.24 g/mol. Its IUPAC name is 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene.

Molecular Properties

Compound Name1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene
PubChem CID44580462
Molecular FormulaC15H10F3NO3
Molecular Weight309.24 g/mol
Exact Mass309.06
IUPAC Name1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene
SMILESCOc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-]
InChIInChI=1S/C15H10F3NO3/c1-22-14-5-4-9(8-13(14)19(20)21)2-3-10-6-11(16)15(18)12(17)7-10/h2-8H,1H3/b3-2-
InChIKeyFAJYSVVZMRUMJE-IHWYPQMZSA-N
XLogP4.19
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.24
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

Fluorodifen
CID 27295
1-Methoxy-4-methyl-2-nitrobenzene
CID 67058
3-Methyl-2-nitroanisole
CID 79291
2-(4-Methoxyphenoxy)-5-(trifluoromethyl)aniline
CID 2735929
trans-4'-Methoxy-4-nitrostilbene
CID 745105
4-Nitro-2-(trifluoromethyl)anisole
CID 69562
4-(Chloromethyl)-2-nitroanisole
CID 80785
2-Nitro-4-trifluoromethylanisole
CID 96748
2-Methoxy-5-(trifluoromethyl)aniline
CID 600637
5-Methyl-2-nitroanisole
CID 97455
4-Fluoro-2-nitroanisole
CID 565656
4-(Bromomethyl)-1-methoxy-2-nitrobenzene
CID 11579648

Frequently Asked Questions

What is the IUPAC name of 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene?
The IUPAC name of 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene (CID 44580462) is 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene.
What is the SMILES notation for 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene?
The canonical SMILES for 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene is COc1ccc(/C=C\c2cc(F)c(F)c(F)c2)cc1[N+](=O)[O-].
What is the InChIKey of 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene?
The InChIKey is FAJYSVVZMRUMJE-IHWYPQMZSA-N. The full InChI is InChI=1S/C15H10F3NO3/c1-22-14-5-4-9(8-13(14)19(20)21)2-3-10-6-11(16)15(18)12(17)7-10/h2-8H,1H3/b3-2-.
What are the key properties of 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene?
1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene has a molecular weight of 309.24 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,3-trifluoro-5-[(Z)-2-(4-methoxy-3-nitrophenyl)ethenyl]benzene is sourced from PubChem (CID 44580462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).