4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene

C10H12FNO3 — CID 71757600

IUPAC4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
SMILESCC(C)(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO3/c1-10(2,3)15-9-6-7(11)4-5-8(9)12(13)14/h4-6H,1-3H3
InChIKeyPORIJRZUPCCODO-UHFFFAOYSA-N
MW213.21 g/mol
LogP2.91
Rot. Bonds2

About 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene

4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene (PubChem CID 71757600) has the molecular formula C10H12FNO3 and a molecular weight of 213.21 g/mol. Its IUPAC name is 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene.

Molecular Properties

Compound Name4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
PubChem CID71757600
Molecular FormulaC10H12FNO3
Molecular Weight213.21 g/mol
Exact Mass213.08
IUPAC Name4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
SMILESCC(C)(C)Oc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO3/c1-10(2,3)15-9-6-7(11)4-5-8(9)12(13)14/h4-6H,1-3H3
InChIKeyPORIJRZUPCCODO-UHFFFAOYSA-N
XLogP2.91
TPSA52.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.21
LogP ≤ 52.91
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

methyl 2-(5-fluoro-2-nitrophenoxy)-2-methylpropanoate
CID 18952075
2-[(2-methylpropan-2-yl)oxy]-1-nitro-4-propan-2-ylbenzene
CID 144540108
4-fluoro-2-(1,1,2,3,3,3-hexafluoropropoxy)-1-nitrobenzene
CID 14453328
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
CID 60879350
3-(5-fluoro-2-nitrophenoxy)-2-methylbutan-2-ol
CID 58413251
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
(5-fluoro-2-nitrophenyl) 4-tert-butylbenzenesulfonate
CID 26949055
N-tert-butyl-2-(5-fluoro-2-nitrophenoxy)propanamide
CID 78913281
2-[2-(chloromethyl)-4-fluorophenoxy]-4-fluoro-1-nitrobenzene
CID 61031561
4-fluoro-2-(2-methylcyclohexyl)oxy-1-nitrobenzene
CID 67386160
2-(2-ethylbutoxy)-4-fluoro-1-nitrobenzene
CID 82934906
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene?
The IUPAC name of 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene (CID 71757600) is 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene.
What is the SMILES notation for 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene?
The canonical SMILES for 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene is CC(C)(C)Oc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene?
The InChIKey is PORIJRZUPCCODO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO3/c1-10(2,3)15-9-6-7(11)4-5-8(9)12(13)14/h4-6H,1-3H3.
What are the key properties of 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene?
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene has a molecular weight of 213.21 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene is sourced from PubChem (CID 71757600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).