2,3,4-trifluoro-5-nitrophenol

C6H2F3NO3 — CID 131582853

IUPAC2,3,4-trifluoro-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)c(F)c(F)c1F
InChIInChI=1S/C6H2F3NO3/c7-4-2(10(12)13)1-3(11)5(8)6(4)9/h1,11H
InChIKeyKROCDBXBGMNBFH-UHFFFAOYSA-N
MW193.08 g/mol
LogP1.72
Rot. Bonds1

About 2,3,4-trifluoro-5-nitrophenol

2,3,4-trifluoro-5-nitrophenol (PubChem CID 131582853) has the molecular formula C6H2F3NO3 and a molecular weight of 193.08 g/mol. Its IUPAC name is 2,3,4-trifluoro-5-nitrophenol.

Molecular Properties

Compound Name2,3,4-trifluoro-5-nitrophenol
PubChem CID131582853
Molecular FormulaC6H2F3NO3
Molecular Weight193.08 g/mol
Exact Mass193.00
IUPAC Name2,3,4-trifluoro-5-nitrophenol
SMILESO=[N+]([O-])c1cc(O)c(F)c(F)c1F
InChIInChI=1S/C6H2F3NO3/c7-4-2(10(12)13)1-3(11)5(8)6(4)9/h1,11H
InChIKeyKROCDBXBGMNBFH-UHFFFAOYSA-N
XLogP1.72
TPSA63.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.08
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-bromo-2-fluoro-3-nitrophenol
CID 131137935
N-(2,3,4-trifluoro-5-nitrophenyl)acetamide
CID 156686573
3-fluoro-2,6-diiodo-4-nitrophenol
CID 118612807
4-hydroxy-2,5-dinitrobenzaldehyde
CID 118176049
3,4-difluoro-2-methyl-5-nitrobenzoic acid
CID 143382870
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1,3,4-trifluoro-2-methylsulfanyl-5-nitrobenzene
CID 12700918
2-bromo-5-fluoro-4-nitrophenol
CID 66598465
CID 158436799
CID 158436799
4,5-dinitrobenzene-1,2,3-triol
CID 19107665
2,5-difluoro-3-nitrobenzoic acid
CID 15622527
CID 159716735
CID 159716735

Frequently Asked Questions

What is the IUPAC name of 2,3,4-trifluoro-5-nitrophenol?
The IUPAC name of 2,3,4-trifluoro-5-nitrophenol (CID 131582853) is 2,3,4-trifluoro-5-nitrophenol.
What is the SMILES notation for 2,3,4-trifluoro-5-nitrophenol?
The canonical SMILES for 2,3,4-trifluoro-5-nitrophenol is O=[N+]([O-])c1cc(O)c(F)c(F)c1F.
What is the InChIKey of 2,3,4-trifluoro-5-nitrophenol?
The InChIKey is KROCDBXBGMNBFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H2F3NO3/c7-4-2(10(12)13)1-3(11)5(8)6(4)9/h1,11H.
What are the key properties of 2,3,4-trifluoro-5-nitrophenol?
2,3,4-trifluoro-5-nitrophenol has a molecular weight of 193.08 g/mol, XLogP of 1.72, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,4-trifluoro-5-nitrophenol is sourced from PubChem (CID 131582853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).