1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol

C10H12FNO4 — CID 104832228

IUPAC1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-7(11)4-3-5-8(9)12(14)15/h3-5,13H,6H2,1-2H3
InChIKeyVULKNORZSXDMCX-UHFFFAOYSA-N
MW229.21 g/mol
LogP1.88
Rot. Bonds4

About 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol

1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol (PubChem CID 104832228) has the molecular formula C10H12FNO4 and a molecular weight of 229.21 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
PubChem CID104832228
Molecular FormulaC10H12FNO4
Molecular Weight229.21 g/mol
Exact Mass229.08
IUPAC Name1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol
SMILESCC(C)(O)COc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-7(11)4-3-5-8(9)12(14)15/h3-5,13H,6H2,1-2H3
InChIKeyVULKNORZSXDMCX-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-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 104832230
3-(2-fluoro-6-nitrophenoxy)-2-methyl-2-(methylamino)propanoic acid
CID 104832396
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
2-(cyclopropylamino)-3-(2-fluoro-6-nitrophenoxy)-2-methylpropanoic acid
CID 104832328
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
2-cyclopropyl-3-(2-fluoro-6-nitrophenoxy)-2-(methylamino)propanoic acid
CID 104832324
2-amino-2-cyclopropyl-3-(2-fluoro-6-nitrophenoxy)propanoic acid
CID 104832381
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
3-(2-fluoro-6-nitrophenoxy)-2-methylpropane-1-thiol
CID 104832559
1-bromo-3-(2-fluoro-6-nitrophenoxy)propan-2-ol
CID 104831603

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol?
The IUPAC name of 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol (CID 104832228) is 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol?
The canonical SMILES for 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol is CC(C)(O)COc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol?
The InChIKey is VULKNORZSXDMCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4/c1-10(2,13)6-16-9-7(11)4-3-5-8(9)12(14)15/h3-5,13H,6H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol?
1-(2-fluoro-6-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-(2-fluoro-6-nitrophenoxy)-2-methylpropan-2-ol is sourced from PubChem (CID 104832228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).