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

C11H14FNO4 — CID 114496129

IUPAC1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO4/c1-3-11(2,14)7-17-10-8(12)5-4-6-9(10)13(15)16/h4-6,14H,3,7H2,1-2H3
InChIKeyWEVLDLSGZMGONA-UHFFFAOYSA-N
MW243.23 g/mol
LogP2.27
Rot. Bonds5

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

1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol (PubChem CID 114496129) has the molecular formula C11H14FNO4 and a molecular weight of 243.23 g/mol. Its IUPAC name is 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
PubChem CID114496129
Molecular FormulaC11H14FNO4
Molecular Weight243.23 g/mol
Exact Mass243.09
IUPAC Name1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol
SMILESCCC(C)(O)COc1c(F)cccc1[N+](=O)[O-]
InChIInChI=1S/C11H14FNO4/c1-3-11(2,14)7-17-10-8(12)5-4-6-9(10)13(15)16/h4-6,14H,3,7H2,1-2H3
InChIKeyWEVLDLSGZMGONA-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
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
3-[(2-chloro-6-nitrophenoxy)methyl]pentan-3-ol
CID 103931748
potassium trifluoro-[(2-fluoro-6-nitrophenoxy)methyl]boranuide
CID 104832470
6-(2-fluoro-6-nitrophenoxy)-2,2-dimethylhexanimidamide
CID 106712487
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
1-(2,3-difluorophenoxy)-2-methylbutan-2-ol
CID 114496070
2-but-3-ynoxy-1-fluoro-3-nitrobenzene
CID 104832240

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The IUPAC name of 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol (CID 114496129) is 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol.
What is the SMILES notation for 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The canonical SMILES for 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol is CCC(C)(O)COc1c(F)cccc1[N+](=O)[O-].
What is the InChIKey of 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
The InChIKey is WEVLDLSGZMGONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4/c1-3-11(2,14)7-17-10-8(12)5-4-6-9(10)13(15)16/h4-6,14H,3,7H2,1-2H3.
What are the key properties of 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol?
1-(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 1-(2-fluoro-6-nitrophenoxy)-2-methylbutan-2-ol is sourced from PubChem (CID 114496129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).