1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene

C9H8FNO3 — CID 59452963

IUPAC1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
SMILESC=Cc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H8FNO3/c1-3-6-4-9(14-2)8(11(12)13)5-7(6)10/h3-5H,1H2,2H3
InChIKeyDGGFGHJMYODRII-UHFFFAOYSA-N
MW197.16 g/mol
LogP2.39
Rot. Bonds3

About 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene

1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene (PubChem CID 59452963) has the molecular formula C9H8FNO3 and a molecular weight of 197.16 g/mol. Its IUPAC name is 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene.

Molecular Properties

Compound Name1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
PubChem CID59452963
Molecular FormulaC9H8FNO3
Molecular Weight197.16 g/mol
Exact Mass197.05
IUPAC Name1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
SMILESC=Cc1cc(OC)c([N+](=O)[O-])cc1F
InChIInChI=1S/C9H8FNO3/c1-3-6-4-9(14-2)8(11(12)13)5-7(6)10/h3-5H,1H2,2H3
InChIKeyDGGFGHJMYODRII-UHFFFAOYSA-N
XLogP2.39
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.16
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-ethenyl-2,5-dimethoxy-4-nitrobenzene
CID 54152856
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
CID 10583662
1-ethenyl-2,4-difluoro-5-nitrobenzene
CID 15856683
1-fluoro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
CID 122235323
3-(4-fluoro-5-methoxy-2-nitrophenyl)butan-2-ol
CID 55217035
2-(2-fluoro-5-methoxy-4-nitrophenoxy)acetic acid
CID 107260614
4-methoxy-5-nitrobenzene-1,2-diol
CID 86249066
2-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylacetic acid
CID 107260086
2-(4-fluoro-5-methoxy-2-nitrophenoxy)ethanamine
CID 63598346
5-ethenyl-2-methoxy-4-nitro-N,N-dipropylaniline
CID 167231996
2-[N-(carboxymethyl)-2-fluoro-5-methoxy-4-nitroanilino]acetic acid
CID 107260017
4-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylphenol
CID 107260586

Frequently Asked Questions

What is the IUPAC name of 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene?
The IUPAC name of 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene (CID 59452963) is 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene.
What is the SMILES notation for 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene?
The canonical SMILES for 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene is C=Cc1cc(OC)c([N+](=O)[O-])cc1F.
What is the InChIKey of 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene?
The InChIKey is DGGFGHJMYODRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8FNO3/c1-3-6-4-9(14-2)8(11(12)13)5-7(6)10/h3-5H,1H2,2H3.
What are the key properties of 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene?
1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene has a molecular weight of 197.16 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene is sourced from PubChem (CID 59452963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).