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

C8H8FNO3 — CID 10583662

IUPAC1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
SMILESCOc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8FNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3
InChIKeyZDFSGAVCCAHLHZ-UHFFFAOYSA-N
MW185.15 g/mol
LogP2.05
Rot. Bonds2

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

1-fluoro-4-methoxy-2-methyl-5-nitrobenzene (PubChem CID 10583662) has the molecular formula C8H8FNO3 and a molecular weight of 185.15 g/mol. Its IUPAC name is 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene.

Molecular Properties

Compound Name1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
PubChem CID10583662
Molecular FormulaC8H8FNO3
Molecular Weight185.15 g/mol
Exact Mass185.05
IUPAC Name1-fluoro-4-methoxy-2-methyl-5-nitrobenzene
SMILESCOc1cc(C)c(F)cc1[N+](=O)[O-]
InChIInChI=1S/C8H8FNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3
InChIKeyZDFSGAVCCAHLHZ-UHFFFAOYSA-N
XLogP2.05
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.15
LogP ≤ 52.05
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

O-(4-fluoro-5-methyl-2-nitrophenyl)hydroxylamine;hydrochloride
CID 162421806
1-ethenyl-2-fluoro-5-methoxy-4-nitrobenzene
CID 59452963
3-[(4-fluoro-5-methyl-2-nitrophenoxy)methyl]pentan-3-amine
CID 103594366
1-fluoro-5-methoxy-4-nitro-2-(trifluoromethyl)benzene
CID 122235323
4-(4-fluoro-5-methyl-2-nitrophenoxy)piperidine
CID 103594346
1-(3-bromo-5-fluorophenoxy)-4-fluoro-5-methyl-2-nitrobenzene
CID 103591304
4-(2-fluoro-5-methoxy-4-nitrophenyl)sulfanylphenol
CID 107260586
2-fluoro-1-methoxy-5-methyl-3-nitrobenzene
CID 131213041
3-(4-fluoro-5-methyl-2-nitrophenoxy)aniline
CID 103594291
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

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene?
The IUPAC name of 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene (CID 10583662) is 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene.
What is the SMILES notation for 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene?
The canonical SMILES for 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene is COc1cc(C)c(F)cc1[N+](=O)[O-].
What is the InChIKey of 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene?
The InChIKey is ZDFSGAVCCAHLHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8FNO3/c1-5-3-8(13-2)7(10(11)12)4-6(5)9/h3-4H,1-2H3.
What are the key properties of 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene?
1-fluoro-4-methoxy-2-methyl-5-nitrobenzene has a molecular weight of 185.15 g/mol, XLogP of 2.05, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxy-2-methyl-5-nitrobenzene is sourced from PubChem (CID 10583662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).