4-fluoro-2-nitro-6-(trifluoromethyl)phenol

C7H3F4NO3 — CID 69400502

IUPAC4-fluoro-2-nitro-6-(trifluoromethyl)phenol
SMILESO=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1O
InChIInChI=1S/C7H3F4NO3/c8-3-1-4(7(9,10)11)6(13)5(2-3)12(14)15/h1-2,13H
InChIKeyAPEFIKQAYLBPMH-UHFFFAOYSA-N
MW225.10 g/mol
LogP2.46
Rot. Bonds1

About 4-fluoro-2-nitro-6-(trifluoromethyl)phenol

4-fluoro-2-nitro-6-(trifluoromethyl)phenol (PubChem CID 69400502) has the molecular formula C7H3F4NO3 and a molecular weight of 225.10 g/mol. Its IUPAC name is 4-fluoro-2-nitro-6-(trifluoromethyl)phenol.

Molecular Properties

Compound Name4-fluoro-2-nitro-6-(trifluoromethyl)phenol
PubChem CID69400502
Molecular FormulaC7H3F4NO3
Molecular Weight225.10 g/mol
Exact Mass225.00
IUPAC Name4-fluoro-2-nitro-6-(trifluoromethyl)phenol
SMILESO=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1O
InChIInChI=1S/C7H3F4NO3/c8-3-1-4(7(9,10)11)6(13)5(2-3)12(14)15/h1-2,13H
InChIKeyAPEFIKQAYLBPMH-UHFFFAOYSA-N
XLogP2.46
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.10
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[4-hydroxy-3-nitro-5-(trifluoromethyl)phenyl]-2-nitro-6-(trifluoromethyl)phenol
CID 141042032
4-fluoro-2-(2-hydroxypropan-2-yl)-6-nitrophenol
CID 117306184
2-[4-fluoro-2-nitro-6-(trifluoromethyl)phenyl]acetamide
CID 91316298
2-[(1R)-1-amino-2,2,2-trifluoroethyl]-4-fluoro-6-nitrophenol
CID 66511647
4-fluoro-2-(hydroxymethyl)-6-nitrophenol
CID 117280586
4-fluoro-2-methoxy-6-nitrophenol
CID 134392027
4-fluoro-2-(1-hydroxycyclopropyl)-6-nitrophenol
CID 117303487
azane;4-nitro-3-(trifluoromethyl)phenol
CID 171929211
2-bromo-1-(5-fluoro-2-hydroxy-3-nitrophenyl)ethanone
CID 53441697
2,6-dinitro-4-(trifluoromethylsulfonyl)phenol
CID 15607727
4-bromo-2-nitro-5-(trifluoromethyl)phenol
CID 86727299
4-[[(3R)-3-methylpiperidin-1-yl]methyl]-2-nitro-6-(trifluoromethyl)phenol
CID 166556997

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-2-nitro-6-(trifluoromethyl)phenol?
The IUPAC name of 4-fluoro-2-nitro-6-(trifluoromethyl)phenol (CID 69400502) is 4-fluoro-2-nitro-6-(trifluoromethyl)phenol.
What is the SMILES notation for 4-fluoro-2-nitro-6-(trifluoromethyl)phenol?
The canonical SMILES for 4-fluoro-2-nitro-6-(trifluoromethyl)phenol is O=[N+]([O-])c1cc(F)cc(C(F)(F)F)c1O.
What is the InChIKey of 4-fluoro-2-nitro-6-(trifluoromethyl)phenol?
The InChIKey is APEFIKQAYLBPMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO3/c8-3-1-4(7(9,10)11)6(13)5(2-3)12(14)15/h1-2,13H.
What are the key properties of 4-fluoro-2-nitro-6-(trifluoromethyl)phenol?
4-fluoro-2-nitro-6-(trifluoromethyl)phenol has a molecular weight of 225.10 g/mol, XLogP of 2.46, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-2-nitro-6-(trifluoromethyl)phenol is sourced from PubChem (CID 69400502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).