4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol

C11H14FNO4 — CID 104832230

IUPAC4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO4/c1-11(2,14)6-7-17-10-8(12)4-3-5-9(10)13(15)16/h3-5,14H,6-7H2,1-2H3
InChIKeyUQUMNEIEWQWZAT-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.27
Rot. Bonds5

About 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol

4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol (PubChem CID 104832230) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
PubChem CID104832230
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
SMILESCC(C)(O)CCOc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO4/c1-11(2,14)6-7-17-10-8(12)4-3-5-9(10)13(15)16/h3-5,14H,6-7H2,1-2H3
InChIKeyUQUMNEIEWQWZAT-UHFFFAOYSA-N
XLogP2.27
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.23
LogP ≤ 52.27
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-methylpropan-2-ol
CID 104832228
1-fluoro-2-(2-methoxyethoxy)-3-nitrobenzene
CID 53255698
1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
CID 114496129
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240
3-(2-fluoro-6-nitrophenoxy)-2-methyl-2-(methylamino)propanoic acid
CID 104832396
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
4-(2-fluoro-6-nitrophenoxy)butane-1-sulfonamide
CID 104832483
3-(2-fluoro-6-nitrophenoxy)-1-piperazin-1-ylpropan-1-one
CID 104831742
3-(2-fluoro-6-nitrophenoxy)-2-methylpropane-1-thiol
CID 104832559
2-(2-fluoro-6-nitrophenoxy)-1-(2-fluorophenyl)ethanone
CID 104831980
1-bromo-3-(2-fluoro-6-nitrophenoxy)propan-2-ol
CID 104831603

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol (CID 104832230) is 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol is CC(C)(O)CCOc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The InChIKey is UQUMNEIEWQWZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-11(2,14)6-7-17-10-8(12)4-3-5-9(10)13(15)16/h3-5,14H,6-7H2,1-2H3.
What are the key properties of 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol has a molecular weight of 243.23 g/mol, XLogP of 2.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 104832230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).