2-[2,5-bis(trifluoromethyl)anilino]phenol

C14H9F6NO — CID 155290288

IUPAC2-[2,5-bis(trifluoromethyl)anilino]phenol
SMILESOc1ccccc1Nc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)8-5-6-9(14(18,19)20)11(7-8)21-10-3-1-2-4-12(10)22/h1-7,21-22H
InChIKeyUGRLZRAAMKICTK-UHFFFAOYSA-N
MW321.22 g/mol
LogP5.17
Rot. Bonds2

About 2-[2,5-bis(trifluoromethyl)anilino]phenol

2-[2,5-bis(trifluoromethyl)anilino]phenol (PubChem CID 155290288) has the molecular formula C14H9F6NO and a molecular weight of 321.22 g/mol. Its IUPAC name is 2-[2,5-bis(trifluoromethyl)anilino]phenol.

Molecular Properties

Compound Name2-[2,5-bis(trifluoromethyl)anilino]phenol
PubChem CID155290288
Molecular FormulaC14H9F6NO
Molecular Weight321.22 g/mol
Exact Mass321.06
IUPAC Name2-[2,5-bis(trifluoromethyl)anilino]phenol
SMILESOc1ccccc1Nc1cc(C(F)(F)F)ccc1C(F)(F)F
InChIInChI=1S/C14H9F6NO/c15-13(16,17)8-5-6-9(14(18,19)20)11(7-8)21-10-3-1-2-4-12(10)22/h1-7,21-22H
InChIKeyUGRLZRAAMKICTK-UHFFFAOYSA-N
XLogP5.17
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.22
LogP ≤ 55.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Related Compounds

N-[2,5-bis(trifluoromethyl)phenyl]-2-hydroxybenzamide
CID 23070350
N-(3-fluorophenyl)-2,5-bis(trifluoromethyl)aniline
CID 155290773
5-(trifluoromethyl)-2-[2-(trifluoromethyl)phenyl]phenol
CID 118806468
2-[2-(2-hydroxyanilino)anilino]phenol
CID 19351988
3-[2,5-bis(trifluoromethyl)anilino]-4-methoxybenzoic acid
CID 155291425
1-[2-hydroxy-4-(trifluoromethyl)phenyl]-3-(2-phenylphenyl)urea
CID 22011313
1-[2-methoxy-5-(trifluoromethyl)phenyl]-3-[2-(trifluoromethyl)phenyl]urea
CID 86609606
2-[2,5-bis(trifluoromethyl)anilino]ethene-1,1,2-tricarbonitrile
CID 168601022
2-[4-(2-hydroxyanilino)anilino]phenol
CID 67211974
3-[2-[2-chloro-5-(trifluoromethyl)anilino]phenyl]propan-1-ol
CID 142657736
2-sulfanyl-5-(trifluoromethyl)phenol
CID 130035062
2,4-bis(trifluoromethyl)-1-[2-(trifluoromethyl)phenyl]benzene
CID 134617711

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-bis(trifluoromethyl)anilino]phenol?
The IUPAC name of 2-[2,5-bis(trifluoromethyl)anilino]phenol (CID 155290288) is 2-[2,5-bis(trifluoromethyl)anilino]phenol.
What is the SMILES notation for 2-[2,5-bis(trifluoromethyl)anilino]phenol?
The canonical SMILES for 2-[2,5-bis(trifluoromethyl)anilino]phenol is Oc1ccccc1Nc1cc(C(F)(F)F)ccc1C(F)(F)F.
What is the InChIKey of 2-[2,5-bis(trifluoromethyl)anilino]phenol?
The InChIKey is UGRLZRAAMKICTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F6NO/c15-13(16,17)8-5-6-9(14(18,19)20)11(7-8)21-10-3-1-2-4-12(10)22/h1-7,21-22H.
What are the key properties of 2-[2,5-bis(trifluoromethyl)anilino]phenol?
2-[2,5-bis(trifluoromethyl)anilino]phenol has a molecular weight of 321.22 g/mol, XLogP of 5.17, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-bis(trifluoromethyl)anilino]phenol is sourced from PubChem (CID 155290288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).