2-fluoro-1-nitro-4-(trifluoromethyl)benzene

C7H3F4NO2 — CID 3722169

IUPAC2-fluoro-1-nitro-4-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChIKeyOBWDPLOCTVOTMA-UHFFFAOYSA-N
MW209.10 g/mol
LogP2.75
Rot. Bonds1

About 2-fluoro-1-nitro-4-(trifluoromethyl)benzene

2-fluoro-1-nitro-4-(trifluoromethyl)benzene (PubChem CID 3722169) has the molecular formula C7H3F4NO2 and a molecular weight of 209.10 g/mol. Its IUPAC name is 2-fluoro-1-nitro-4-(trifluoromethyl)benzene.

Molecular Properties

Compound Name2-fluoro-1-nitro-4-(trifluoromethyl)benzene
PubChem CID3722169
Molecular FormulaC7H3F4NO2
Molecular Weight209.10 g/mol
Exact Mass209.01
IUPAC Name2-fluoro-1-nitro-4-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1ccc(C(F)(F)F)cc1F
InChIInChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H
InChIKeyOBWDPLOCTVOTMA-UHFFFAOYSA-N
XLogP2.75
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.10
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-1-nitro-4-(trifluoromethyl)benzene?
The IUPAC name of 2-fluoro-1-nitro-4-(trifluoromethyl)benzene (CID 3722169) is 2-fluoro-1-nitro-4-(trifluoromethyl)benzene.
What is the SMILES notation for 2-fluoro-1-nitro-4-(trifluoromethyl)benzene?
The canonical SMILES for 2-fluoro-1-nitro-4-(trifluoromethyl)benzene is O=[N+]([O-])c1ccc(C(F)(F)F)cc1F.
What is the InChIKey of 2-fluoro-1-nitro-4-(trifluoromethyl)benzene?
The InChIKey is OBWDPLOCTVOTMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3F4NO2/c8-5-3-4(7(9,10)11)1-2-6(5)12(13)14/h1-3H.
What are the key properties of 2-fluoro-1-nitro-4-(trifluoromethyl)benzene?
2-fluoro-1-nitro-4-(trifluoromethyl)benzene has a molecular weight of 209.10 g/mol, XLogP of 2.75, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-1-nitro-4-(trifluoromethyl)benzene is sourced from PubChem (CID 3722169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).