3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol

C10H11BrFNO4 — CID 113343635

IUPAC3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1c(Br)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrFNO4/c1-6(4-14)5-17-10-8(11)2-7(12)3-9(10)13(15)16/h2-3,6,14H,4-5H2,1H3
InChIKeyPHDUWLQGYHUZAT-UHFFFAOYSA-N
MW308.10 g/mol
LogP2.50
Rot. Bonds5

About 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol

3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol (PubChem CID 113343635) has the molecular formula C10H11BrFNO4 and a molecular weight of 308.10 g/mol. Its IUPAC name is 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol.

Molecular Properties

Compound Name3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol
PubChem CID113343635
Molecular FormulaC10H11BrFNO4
Molecular Weight308.10 g/mol
Exact Mass306.99
IUPAC Name3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol
SMILESCC(CO)COc1c(Br)cc(F)cc1[N+](=O)[O-]
InChIInChI=1S/C10H11BrFNO4/c1-6(4-14)5-17-10-8(11)2-7(12)3-9(10)13(15)16/h2-3,6,14H,4-5H2,1H3
InChIKeyPHDUWLQGYHUZAT-UHFFFAOYSA-N
XLogP2.50
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.10
LogP ≤ 52.50
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

N-[2-(2-bromo-4-fluoro-6-nitrophenoxy)ethyl]propan-2-amine
CID 43379417
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-(propylamino)propan-2-ol
CID 43379449
1-(2-bromo-4-fluoro-6-nitrophenoxy)-3-cyclopentylpropan-2-ol
CID 103160498
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2,2-dimethylpropanoic acid
CID 79622272
ethyl 2-(2-bromo-4-fluoro-6-nitrophenoxy)acetate
CID 43092999
4-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylbut-2-enoic acid
CID 77074661
1-bromo-2-[2-(chloromethyl)prop-2-enoxy]-5-fluoro-3-nitrobenzene
CID 103066054
2-(2-bromo-4-fluoro-6-nitrophenoxy)pentanoic acid
CID 83038728
2-methyl-3-(4-methyl-2-nitrophenoxy)propan-1-ol
CID 115870896
methyl 3-(2-bromo-4-chloro-6-nitrophenoxy)-2-methylpropanoate
CID 43538092
3-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]-6-chloropyridazine
CID 104514187
tert-butyl 3-[(2-bromo-4-fluoro-6-nitrophenoxy)methyl]azetidine-1-carboxylate
CID 146035506

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol?
The IUPAC name of 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol (CID 113343635) is 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol.
What is the SMILES notation for 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol?
The canonical SMILES for 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol is CC(CO)COc1c(Br)cc(F)cc1[N+](=O)[O-].
What is the InChIKey of 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol?
The InChIKey is PHDUWLQGYHUZAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrFNO4/c1-6(4-14)5-17-10-8(11)2-7(12)3-9(10)13(15)16/h2-3,6,14H,4-5H2,1H3.
What are the key properties of 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol?
3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol has a molecular weight of 308.10 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromo-4-fluoro-6-nitrophenoxy)-2-methylpropan-1-ol is sourced from PubChem (CID 113343635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).