1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol

C10H12FNO4 — CID 60879350

IUPAC1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-5-7(11)3-4-8(9)12(14)15/h3-5,13H,6H2,1-2H3
InChIKeyONZNTUZTFLYZGX-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.88
Rot. Bonds4

About 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol

1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol (PubChem CID 60879350) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
PubChem CID60879350
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1cc(F)ccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-5-7(11)3-4-8(9)12(14)15/h3-5,13H,6H2,1-2H3
InChIKeyONZNTUZTFLYZGX-UHFFFAOYSA-N
XLogP1.88
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.21
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(5-fluoro-2-nitrophenoxy)-2-methyl-3-(propylamino)propan-2-ol
CID 66335787
3-(2-hydroxy-2-methylpropoxy)-4-nitrobenzaldehyde
CID 62116416
4-fluoro-2-[3-(5-fluoro-2-nitrophenoxy)propoxy]-1-nitrobenzene
CID 7533666
4-fluoro-2-[(2-methylpropan-2-yl)oxy]-1-nitrobenzene
CID 71757600
3-(5-fluoro-2-nitrophenoxy)-2-methylbutan-2-ol
CID 58413251
N-(4-tert-butylphenyl)-2-(5-fluoro-2-nitrophenoxy)acetamide
CID 7438477
2-(5-fluoro-2-nitrophenoxy)-N-methyl-N-propan-2-ylacetamide
CID 78911810
2-(2-ethylbutoxy)-4-fluoro-1-nitrobenzene
CID 82934906
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
1-cyclopropyl-2-(5-fluoro-2-nitrophenoxy)ethanone
CID 63903263
4-fluoro-2-[2-(2-methylphenoxy)ethoxy]-1-nitrobenzene
CID 112787536
4-(5-fluoro-2-nitrophenoxy)-2,2-dimethylbutanimidamide
CID 65251842

Frequently Asked Questions

What is the IUPAC name of 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol (CID 60879350) is 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol is CC(C)(O)COc1cc(F)ccc1[N+](=O)[O-].
What is the InChIKey of 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol?
The InChIKey is ONZNTUZTFLYZGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-5-7(11)3-4-8(9)12(14)15/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol?
1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol has a molecular weight of 229.21 g/mol, XLogP of 1.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-fluoro-2-nitrophenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 60879350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).