4-fluoro-5-nitro-2-(trifluoromethyl)aniline

C7H4F4N2O2 — CID 131316760

IUPAC4-fluoro-5-nitro-2-(trifluoromethyl)aniline
SMILESNc1cc([N+](=O)[O-])c(F)cc1C(F)(F)F
InChIInChI=1S/C7H4F4N2O2/c8-4-1-3(7(9,10)11)5(12)2-6(4)13(14)15/h1-2H,12H2
InChIKeyCFJRYXMGIDFGCC-UHFFFAOYSA-N
MW224.11 g/mol
LogP2.33
Rot. Bonds1

About 4-fluoro-5-nitro-2-(trifluoromethyl)aniline

4-fluoro-5-nitro-2-(trifluoromethyl)aniline (PubChem CID 131316760) has the molecular formula C7H4F4N2O2 and a molecular weight of 224.11 g/mol. Its IUPAC name is 4-fluoro-5-nitro-2-(trifluoromethyl)aniline.

Molecular Properties

Compound Name4-fluoro-5-nitro-2-(trifluoromethyl)aniline
PubChem CID131316760
Molecular FormulaC7H4F4N2O2
Molecular Weight224.11 g/mol
Exact Mass224.02
IUPAC Name4-fluoro-5-nitro-2-(trifluoromethyl)aniline
SMILESNc1cc([N+](=O)[O-])c(F)cc1C(F)(F)F
InChIInChI=1S/C7H4F4N2O2/c8-4-1-3(7(9,10)11)5(12)2-6(4)13(14)15/h1-2H,12H2
InChIKeyCFJRYXMGIDFGCC-UHFFFAOYSA-N
XLogP2.33
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.11
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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

4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
[4-fluoro-5-nitro-2-(trifluoromethyl)phenyl]methanamine
CID 171015761
1-chloro-5-fluoro-4-nitro-2-(trifluoromethyl)benzene
CID 58919797
1,4-difluoro-2,5-dinitrobenzene
CID 14951568
1-fluoro-2-methyl-4-nitro-5-(trifluoromethyl)benzene
CID 134615299
2-bromo-5-fluoro-4-nitroaniline
CID 57488513
2-fluoro-5-nitro-4-(trifluoromethyl)benzaldehyde
CID 171015249
5-amino-2-fluoro-4-(trifluoromethyl)benzenethiol
CID 130934060
2-fluoro-5-nitro-3-(trifluoromethyl)aniline
CID 131317889
2,4-difluoro-5-nitrobenzenethiol
CID 90220196
5-amino-2-fluoro-4-(trifluoromethyl)benzaldehyde
CID 131075471
2-(2,4-difluoro-5-nitrophenyl)-1,1,1,3,3,3-hexafluoropropan-2-ol
CID 166610434

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-nitro-2-(trifluoromethyl)aniline?
The IUPAC name of 4-fluoro-5-nitro-2-(trifluoromethyl)aniline (CID 131316760) is 4-fluoro-5-nitro-2-(trifluoromethyl)aniline.
What is the SMILES notation for 4-fluoro-5-nitro-2-(trifluoromethyl)aniline?
The canonical SMILES for 4-fluoro-5-nitro-2-(trifluoromethyl)aniline is Nc1cc([N+](=O)[O-])c(F)cc1C(F)(F)F.
What is the InChIKey of 4-fluoro-5-nitro-2-(trifluoromethyl)aniline?
The InChIKey is CFJRYXMGIDFGCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F4N2O2/c8-4-1-3(7(9,10)11)5(12)2-6(4)13(14)15/h1-2H,12H2.
What are the key properties of 4-fluoro-5-nitro-2-(trifluoromethyl)aniline?
4-fluoro-5-nitro-2-(trifluoromethyl)aniline has a molecular weight of 224.11 g/mol, XLogP of 2.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-nitro-2-(trifluoromethyl)aniline is sourced from PubChem (CID 131316760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).