2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol

C13H8F3NO4 — CID 14653475

IUPAC2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(6-8)21-10-4-5-11(17(19)20)12(18)7-10/h1-7,18H
InChIKeyCZLLKYAAXNYGSE-UHFFFAOYSA-N
MW299.20 g/mol
LogP4.11
Rot. Bonds3

About 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol

2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol (PubChem CID 14653475) has the molecular formula C13H8F3NO4 and a molecular weight of 299.20 g/mol. Its IUPAC name is 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol.

Molecular Properties

Compound Name2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol
PubChem CID14653475
Molecular FormulaC13H8F3NO4
Molecular Weight299.20 g/mol
Exact Mass299.04
IUPAC Name2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol
SMILESO=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1O
InChIInChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(6-8)21-10-4-5-11(17(19)20)12(18)7-10/h1-7,18H
InChIKeyCZLLKYAAXNYGSE-UHFFFAOYSA-N
XLogP4.11
TPSA72.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.20
LogP ≤ 54.11
H-Bond Donors ≤ 51
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

5-[2-Chloro-5-(trifluoromethyl)phenoxy]-2-nitrophenol
CID 619791
3-(4-Nitro-phenoxy)-phenol
CID 762596
1-(4-Nitrophenoxy)-3-(trifluoromethyl)benzene
CID 243309
5-(2-Chloro-4-trifluoromethylphenoxy)-2-nitrophenol
CID 162064
2,4,5-Trifluoro-3-(4-isopropenyl-cyclohex-1-enylmethoxy)-6-nitro-phenol
CID 44371606
3-Benzyloxy-2,4,5-trifluoro-6-nitro-phenol
CID 44371686
3-(Biphenyl-4-ylmethoxy)-2,4,5-trifluoro-6-nitro-phenol
CID 44371958
2-[(E)-2-(3,5-dimethoxyphenyl)ethenyl]-4-nitrophenol
CID 118720095
4-[1-(3,5-Dimethoxyphenyl)ethenyl]-2-nitro-1-(trifluoromethoxy)benzene
CID 145952132
4-Fluoro-2-nitro-1-[3-(trifluoromethyl)phenoxy]benzene
CID 172434461
2-Ethoxy-1-nitro-4-[4-(trifluoromethyl)phenoxy]benzene
CID 12960211
3-Methoxy-2-methyl-6-nitrophenol
CID 291614

Frequently Asked Questions

What is the IUPAC name of 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol?
The IUPAC name of 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol (CID 14653475) is 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol.
What is the SMILES notation for 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol?
The canonical SMILES for 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol is O=[N+]([O-])c1ccc(Oc2cccc(C(F)(F)F)c2)cc1O.
What is the InChIKey of 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol?
The InChIKey is CZLLKYAAXNYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO4/c14-13(15,16)8-2-1-3-9(6-8)21-10-4-5-11(17(19)20)12(18)7-10/h1-7,18H.
What are the key properties of 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol?
2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol has a molecular weight of 299.20 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-5-[3-(trifluoromethyl)phenoxy]phenol is sourced from PubChem (CID 14653475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).