azane;4-nitro-3-(trifluoromethyl)phenol

C7H7F3N2O3 — CID 171929211

IUPACazane;4-nitro-3-(trifluoromethyl)phenol
SMILESN.O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C7H4F3NO3.H3N/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14;/h1-3,12H;1H3
InChIKeyDLPUJJFDDBIRIY-UHFFFAOYSA-N
MW224.14 g/mol
LogP2.48
Rot. Bonds1

About azane;4-nitro-3-(trifluoromethyl)phenol

azane;4-nitro-3-(trifluoromethyl)phenol (PubChem CID 171929211) has the molecular formula C7H7F3N2O3 and a molecular weight of 224.14 g/mol. Its IUPAC name is azane;4-nitro-3-(trifluoromethyl)phenol.

Molecular Properties

Compound Nameazane;4-nitro-3-(trifluoromethyl)phenol
PubChem CID171929211
Molecular FormulaC7H7F3N2O3
Molecular Weight224.14 g/mol
Exact Mass224.04
IUPAC Nameazane;4-nitro-3-(trifluoromethyl)phenol
SMILESN.O=[N+]([O-])c1ccc(O)cc1C(F)(F)F
InChIInChI=1S/C7H4F3NO3.H3N/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14;/h1-3,12H;1H3
InChIKeyDLPUJJFDDBIRIY-UHFFFAOYSA-N
XLogP2.48
TPSA98.37 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.14
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

4-(1-methoxyethoxymethyl)-1-nitro-2-(trifluoromethyl)benzene;4-nitro-3-(trifluoromethyl)phenol
CID 87525679
4-methyl-1-nitro-2-(trifluoromethyl)benzene
CID 13455432
[4-[4-nitro-3-(trifluoromethyl)benzoyl]phenyl]-[4-nitro-3-(trifluoromethyl)phenyl]methanone
CID 86190573
4-nitro-3-sulfanylphenol
CID 91873870
4-(bromomethyl)-1-nitro-2-(trifluoromethyl)benzene
CID 119015946
2-[N-(2-hydroxyethyl)-4-nitro-3-(trifluoromethyl)anilino]ethanol
CID 61233656
4-(3,5-dichlorophenyl)-1-nitro-2-(trifluoromethyl)benzene
CID 134623765
4-nitro-2,5-bis(trifluoromethyl)aniline
CID 121234795
4-[chloro(difluoro)methoxy]-1-nitro-2-(trifluoromethyl)benzene
CID 71669511
trans-(1S,2S)-2-[4-nitro-3-(trifluoromethyl)anilino]cyclohexan-1-ol
CID 133495358
(5-hydroxy-2-nitrophenyl)mercury
CID 67545657
4-methyl-3-[4-nitro-3-(trifluoromethyl)phenyl]pentan-2-ol
CID 63201107

Frequently Asked Questions

What is the IUPAC name of azane;4-nitro-3-(trifluoromethyl)phenol?
The IUPAC name of azane;4-nitro-3-(trifluoromethyl)phenol (CID 171929211) is azane;4-nitro-3-(trifluoromethyl)phenol.
What is the SMILES notation for azane;4-nitro-3-(trifluoromethyl)phenol?
The canonical SMILES for azane;4-nitro-3-(trifluoromethyl)phenol is N.O=[N+]([O-])c1ccc(O)cc1C(F)(F)F.
What is the InChIKey of azane;4-nitro-3-(trifluoromethyl)phenol?
The InChIKey is DLPUJJFDDBIRIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4F3NO3.H3N/c8-7(9,10)5-3-4(12)1-2-6(5)11(13)14;/h1-3,12H;1H3.
What are the key properties of azane;4-nitro-3-(trifluoromethyl)phenol?
azane;4-nitro-3-(trifluoromethyl)phenol has a molecular weight of 224.14 g/mol, XLogP of 2.48, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;4-nitro-3-(trifluoromethyl)phenol is sourced from PubChem (CID 171929211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).