1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene

C10H12FNO3 — CID 15058786

IUPAC1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
SMILESCc1c(COCCF)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO3/c1-8-9(7-15-6-5-11)3-2-4-10(8)12(13)14/h2-4H,5-7H2,1H3
InChIKeyDXIHLIYBBJSGQW-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.39
Rot. Bonds5

About 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene

1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene (PubChem CID 15058786) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene.

Molecular Properties

Compound Name1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
PubChem CID15058786
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene
SMILESCc1c(COCCF)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO3/c1-8-9(7-15-6-5-11)3-2-4-10(8)12(13)14/h2-4H,5-7H2,1H3
InChIKeyDXIHLIYBBJSGQW-UHFFFAOYSA-N
XLogP2.39
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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-[2-[(2-methyl-3-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891830
2-fluoro-1-methyl-3-[(2-methyl-3-nitrophenyl)methoxy]benzene
CID 107662001
(2-methyl-3-nitrophenyl)methanesulfonyl fluoride
CID 165461369
N-[2-(2-methyl-3-nitrophenyl)ethoxy]methanimine
CID 141443680
2-[4-[(2-methyl-3-nitrophenyl)methoxy]phenyl]ethanol
CID 103844529
N-methyl-1-(2-methyl-3-nitrophenyl)methanamine
CID 43508926
methyl 2-(2-methyl-3-nitrophenyl)acetate
CID 74891097
2-ethoxy-N-[(2-methyl-3-nitrophenyl)methyl]ethanamine
CID 43591038
2-fluoro-1-[2-[(2-methylpropan-2-yl)oxy]ethoxymethyl]-3-nitrobenzene
CID 107348769
[2-chloro-6-[(2-methyl-3-nitrophenyl)methoxy]phenyl]methanamine
CID 114318299
(E)-1-(4-fluorophenyl)-N-[(2-methyl-3-nitrophenyl)methoxy]methanimine
CID 60523382
2-[3-[(2-methyl-3-nitrophenyl)methylamino]propoxy]ethanol
CID 106309658

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene?
The IUPAC name of 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene (CID 15058786) is 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene.
What is the SMILES notation for 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene?
The canonical SMILES for 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene is Cc1c(COCCF)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene?
The InChIKey is DXIHLIYBBJSGQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-8-9(7-15-6-5-11)3-2-4-10(8)12(13)14/h2-4H,5-7H2,1H3.
What are the key properties of 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene?
1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene has a molecular weight of 213.21 g/mol, XLogP of 2.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethoxymethyl)-2-methyl-3-nitrobenzene is sourced from PubChem (CID 15058786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).