1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene

C10H10FNO4 — CID 10513470

IUPAC1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(F)c(/C=C/[N+](=O)[O-])c1OC
InChIInChI=1S/C10H10FNO4/c1-15-9-4-3-8(11)7(10(9)16-2)5-6-12(13)14/h3-6H,1-2H3/b6-5+
InChIKeySUXIWIWGQOIUIZ-AATRIKPKSA-N
MW227.19 g/mol
LogP2.09
Rot. Bonds4

About 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene

1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene (PubChem CID 10513470) has the molecular formula C10H10FNO4 and a molecular weight of 227.19 g/mol. Its IUPAC name is 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene.

Molecular Properties

Compound Name1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene
PubChem CID10513470
Molecular FormulaC10H10FNO4
Molecular Weight227.19 g/mol
Exact Mass227.06
IUPAC Name1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene
SMILESCOc1ccc(F)c(/C=C/[N+](=O)[O-])c1OC
InChIInChI=1S/C10H10FNO4/c1-15-9-4-3-8(11)7(10(9)16-2)5-6-12(13)14/h3-6H,1-2H3/b6-5+
InChIKeySUXIWIWGQOIUIZ-AATRIKPKSA-N
XLogP2.09
TPSA61.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.19
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1,2-dimethoxy-3-methyl-4-(2-nitroethenyl)benzene
CID 131885427
3-chloro-1,2-dimethoxy-4-(2-nitroethenyl)benzene
CID 54212872
1,2,3-trimethoxy-5-[(Z)-2-nitroethenyl]benzene
CID 23803810
1,2-dimethoxy-4-[(E)-2-nitroethenyl]benzene
CID 709688
1,3-difluoro-2-[(E)-2-nitroethenyl]-5-(trideuteriomethoxy)benzene
CID 142352492
2-chloro-1-methoxy-4-[(E)-2-nitroethenyl]benzene
CID 65022390
4-bromo-1-methoxy-2-[(Z)-2-nitroethenyl]benzene
CID 92527994
1,2-difluoro-3,4-dimethoxybenzene
CID 67100030
2-ethoxy-1-methoxy-3-[(Z)-2-nitroethenyl]benzene
CID 2060851
2-ethoxy-1-methoxy-3-[(E)-2-nitroethenyl]benzene
CID 896112
6-fluoro-2,3-dimethoxybenzenesulfonyl fluoride
CID 138987464
1,5-dimethoxy-3-nitro-2-[(E)-2-nitroethenyl]benzene
CID 1421523

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene?
The IUPAC name of 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene (CID 10513470) is 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene.
What is the SMILES notation for 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene?
The canonical SMILES for 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene is COc1ccc(F)c(/C=C/[N+](=O)[O-])c1OC.
What is the InChIKey of 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene?
The InChIKey is SUXIWIWGQOIUIZ-AATRIKPKSA-N. The full InChI is InChI=1S/C10H10FNO4/c1-15-9-4-3-8(11)7(10(9)16-2)5-6-12(13)14/h3-6H,1-2H3/b6-5+.
What are the key properties of 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene?
1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene has a molecular weight of 227.19 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-3,4-dimethoxy-2-[(E)-2-nitroethenyl]benzene is sourced from PubChem (CID 10513470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).