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

C13H7F4NO2 — CID 46314596

IUPAC1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO2/c14-12-4-2-1-3-10(12)9-6-5-8(18(19)20)7-11(9)13(15,16)17/h1-7H
InChIKeyFNRXTMWTAWAYPG-UHFFFAOYSA-N
MW285.20 g/mol
LogP4.42
Rot. Bonds2

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

1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene (PubChem CID 46314596) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene.

Molecular Properties

Compound Name1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
PubChem CID46314596
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene
SMILESO=[N+]([O-])c1ccc(-c2ccccc2F)c(C(F)(F)F)c1
InChIInChI=1S/C13H7F4NO2/c14-12-4-2-1-3-10(12)9-6-5-8(18(19)20)7-11(9)13(15,16)17/h1-7H
InChIKeyFNRXTMWTAWAYPG-UHFFFAOYSA-N
XLogP4.42
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 54.42
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'}

Analyze 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,2-dichloro-3-[4-nitro-2-(trifluoromethyl)phenyl]benzene
CID 119018937
2,5-bis[4-nitro-2-(trifluoromethyl)phenyl]furan
CID 10551341
2-fluoro-N-(2-fluorobenzoyl)-N-[4-nitro-2-(trifluoromethyl)phenyl]benzamide
CID 18543617
1,3-dinitro-5-[2-(trifluoromethyl)phenyl]benzene
CID 169099644
4-(2-fluorophenyl)-3-(trifluoromethyl)benzoyl chloride
CID 46313258
4-nitro-1-[4-(trifluoromethoxy)phenyl]-2-(trifluoromethyl)benzene
CID 86094926
ethane;2-fluoro-1-methyl-4-nitrobenzene;1-nitro-2-(trifluoromethyl)benzene
CID 164597116
7-nitro-2-[2-(trifluoromethyl)phenyl]quinoline
CID 146306890
4-[4-nitro-2-(trifluoromethyl)phenyl]cyclohex-3-en-1-one
CID 135262001
1-fluoro-4-nitro-2-(trichloromethyl)benzene
CID 23325896
[4-nitro-2-(trifluoromethyl)phenyl]boronic acid
CID 15541255
1-fluoro-2-(2-methylsulfanylphenyl)-4-nitrobenzene
CID 22285277

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene?
The IUPAC name of 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene (CID 46314596) is 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene.
What is the SMILES notation for 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene?
The canonical SMILES for 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene is O=[N+]([O-])c1ccc(-c2ccccc2F)c(C(F)(F)F)c1.
What is the InChIKey of 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene?
The InChIKey is FNRXTMWTAWAYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-12-4-2-1-3-10(12)9-6-5-8(18(19)20)7-11(9)13(15,16)17/h1-7H.
What are the key properties of 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene?
1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene has a molecular weight of 285.20 g/mol, XLogP of 4.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-4-nitro-2-(trifluoromethyl)benzene is sourced from PubChem (CID 46314596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).