4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol

C9H10FNO4 — CID 117306184

IUPAC4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
SMILESCC(C)(O)c1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10FNO4/c1-9(2,13)6-3-5(10)4-7(8(6)12)11(14)15/h3-4,12-13H,1-2H3
InChIKeyCMUFLFWIRGNANR-UHFFFAOYSA-N
MW215.18 g/mol
LogP1.67
Rot. Bonds2

About 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol

4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol (PubChem CID 117306184) has the molecular formula C9H10FNO4 and a molecular weight of 215.18 g/mol. Its IUPAC name is 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol.

Molecular Properties

Compound Name4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
PubChem CID117306184
Molecular FormulaC9H10FNO4
Molecular Weight215.18 g/mol
Exact Mass215.06
IUPAC Name4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
SMILESCC(C)(O)c1cc(F)cc([N+](=O)[O-])c1O
InChIInChI=1S/C9H10FNO4/c1-9(2,13)6-3-5(10)4-7(8(6)12)11(14)15/h3-4,12-13H,1-2H3
InChIKeyCMUFLFWIRGNANR-UHFFFAOYSA-N
XLogP1.67
TPSA83.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.18
LogP ≤ 51.67
H-Bond Donors ≤ 52
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

4-fluoro-2-nitro-6-(trifluoromethyl)phenol
CID 69400502
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-6-nitrophenol
CID 66511647
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
4-[4-hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-nitro-6-(trifluoromethyl)phenol
CID 141042032
3-tert-butyl-4-hydroxy-5-nitrobenzaldehyde
CID 18677371
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
CID 117303487
3-(5-fluoro-2-hydroxy-3-nitrophenyl)-2,3-dihydroxypropanamide
CID 171868869
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
2-[(1R)-1-amino-3-methylbut-3-enyl]-4-fluoro-6-nitrophenol;hydrochloride
CID 171258847
2,5-difluoro-N-(3-hydroxy-2,3-dimethylbutan-2-yl)-3-nitrobenzamide
CID 106180625
ethyl (3S)-3-amino-2-fluoro-3-(5-fluoro-2-hydroxy-3-nitrophenyl)propanoate
CID 171258844

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol?
The IUPAC name of 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol (CID 117306184) is 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol.
What is the SMILES notation for 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol?
The canonical SMILES for 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol is CC(C)(O)c1cc(F)cc([N+](=O)[O-])c1O.
What is the InChIKey of 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol?
The InChIKey is CMUFLFWIRGNANR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FNO4/c1-9(2,13)6-3-5(10)4-7(8(6)12)11(14)15/h3-4,12-13H,1-2H3.
What are the key properties of 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol?
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol has a molecular weight of 215.18 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol is sourced from PubChem (CID 117306184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).