2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene

C11H12FNO3 — CID 58071374

IUPAC2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
SMILESC=C(C)Cc1c([N+](=O)[O-])ccc(OC)c1F
InChIInChI=1S/C11H12FNO3/c1-7(2)6-8-9(13(14)15)4-5-10(16-3)11(8)12/h4-5H,1,6H2,2-3H3
InChIKeyWDQQWPLWUBLDNE-UHFFFAOYSA-N
MW225.22 g/mol
LogP2.86
Rot. Bonds4

About 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene

2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene (PubChem CID 58071374) has the molecular formula C11H12FNO3 and a molecular weight of 225.22 g/mol. Its IUPAC name is 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene.

Molecular Properties

Compound Name2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
PubChem CID58071374
Molecular FormulaC11H12FNO3
Molecular Weight225.22 g/mol
Exact Mass225.08
IUPAC Name2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene
SMILESC=C(C)Cc1c([N+](=O)[O-])ccc(OC)c1F
InChIInChI=1S/C11H12FNO3/c1-7(2)6-8-9(13(14)15)4-5-10(16-3)11(8)12/h4-5H,1,6H2,2-3H3
InChIKeyWDQQWPLWUBLDNE-UHFFFAOYSA-N
XLogP2.86
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.22
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-3-methoxy-N-methyl-6-nitroaniline
CID 66749284
2-fluoro-6-methoxy-3-nitrobenzaldehyde
CID 138561888
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CID 143994259
1,5-dimethoxy-4,8-dinitroanthracene-9,10-dione
CID 21413446
1-(2-fluoro-6-methoxyphenyl)-2-(2-nitrophenyl)ethanone
CID 65433449
2-(2,3-difluoro-6-nitrophenyl)acetate
CID 86306842
6-methoxy-2-methyl-3-nitrophenol
CID 10058181
2-(2-bromo-3-methoxy-6-nitrophenyl)acetaldehyde
CID 172609405
2-(6-amino-2-fluoro-3-methoxyphenyl)acetic acid
CID 171034052
2-(2-fluorophenyl)-1-(4-methoxy-3-nitrophenyl)ethanone
CID 61077891
2-amino-3-(2,3-dimethoxy-6-nitrophenyl)propanoic acid
CID 170879641
1-(3-fluoro-4-methoxyphenyl)-2-(2-nitroanilino)ethanone
CID 110823679

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene?
The IUPAC name of 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene (CID 58071374) is 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene.
What is the SMILES notation for 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene?
The canonical SMILES for 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene is C=C(C)Cc1c([N+](=O)[O-])ccc(OC)c1F.
What is the InChIKey of 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene?
The InChIKey is WDQQWPLWUBLDNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO3/c1-7(2)6-8-9(13(14)15)4-5-10(16-3)11(8)12/h4-5H,1,6H2,2-3H3.
What are the key properties of 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene?
2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene has a molecular weight of 225.22 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-methoxy-3-(2-methylprop-2-enyl)-4-nitrobenzene is sourced from PubChem (CID 58071374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).