1-nitro-2-[4-(trifluoromethyl)phenyl]benzene

C13H8F3NO2 — CID 22625277

IUPAC1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
SMILESO=[N+]([O-])c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17(18)19/h1-8H
InChIKeyMZPWTCFOXPDZBH-UHFFFAOYSA-N
MW267.21 g/mol
LogP4.28
Rot. Bonds2

About 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene

1-nitro-2-[4-(trifluoromethyl)phenyl]benzene (PubChem CID 22625277) has the molecular formula C13H8F3NO2 and a molecular weight of 267.21 g/mol. Its IUPAC name is 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene.

Molecular Properties

Compound Name1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
PubChem CID22625277
Molecular FormulaC13H8F3NO2
Molecular Weight267.21 g/mol
Exact Mass267.05
IUPAC Name1-nitro-2-[4-(trifluoromethyl)phenyl]benzene
SMILESO=[N+]([O-])c1ccccc1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C13H8F3NO2/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17(18)19/h1-8H
InChIKeyMZPWTCFOXPDZBH-UHFFFAOYSA-N
XLogP4.28
TPSA43.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.21
LogP ≤ 54.28
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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Related Compounds

2-chloro-1-nitro-3-[4-(trifluoromethyl)phenyl]benzene
CID 119024808
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanamide
CID 71188447
2-methyl-2-[4-(2-nitrophenyl)phenyl]propanenitrile
CID 71188452
1-nitro-2-phenylbenzene;pyridine
CID 174774599
8-nitro-4-[4-(trifluoromethyl)phenyl]-1H-quinolin-2-one
CID 102503290
4-(2-nitrophenyl)benzenesulfonamide
CID 102354114
1,3-dimethyl-5-(2-nitrophenyl)benzene
CID 102025373
1,3-difluoro-5-(2-nitrophenyl)benzene
CID 134598355
2-nitro-3-[4-(trifluoromethyl)phenyl]benzamide
CID 22245167
4-(4-acetylphenyl)-2-(2-nitrophenyl)-5-[4-(trifluoromethyl)phenyl]-1H-pyrrole-3-carboxamide
CID 175523658
1-(4-isocyanatophenyl)-2-nitrobenzene
CID 87202293
2-[4-(trifluoromethyl)phenyl]phenol
CID 11230142

Frequently Asked Questions

What is the IUPAC name of 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene?
The IUPAC name of 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene (CID 22625277) is 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene.
What is the SMILES notation for 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene?
The canonical SMILES for 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene is O=[N+]([O-])c1ccccc1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene?
The InChIKey is MZPWTCFOXPDZBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO2/c14-13(15,16)10-7-5-9(6-8-10)11-3-1-2-4-12(11)17(18)19/h1-8H.
What are the key properties of 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene?
1-nitro-2-[4-(trifluoromethyl)phenyl]benzene has a molecular weight of 267.21 g/mol, XLogP of 4.28, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-nitro-2-[4-(trifluoromethyl)phenyl]benzene is sourced from PubChem (CID 22625277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).