4-[3-(trifluoromethyl)anilino]phenol

C13H10F3NO — CID 82537277

IUPAC4-[3-(trifluoromethyl)anilino]phenol
SMILESOc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h1-8,17-18H
InChIKeyNPPSTVSDTJKGMY-UHFFFAOYSA-N
MW253.22 g/mol
LogP4.15
Rot. Bonds2

About 4-[3-(trifluoromethyl)anilino]phenol

4-[3-(trifluoromethyl)anilino]phenol (PubChem CID 82537277) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[3-(trifluoromethyl)anilino]phenol.

Molecular Properties

Compound Name4-[3-(trifluoromethyl)anilino]phenol
PubChem CID82537277
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[3-(trifluoromethyl)anilino]phenol
SMILESOc1ccc(Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h1-8,17-18H
InChIKeyNPPSTVSDTJKGMY-UHFFFAOYSA-N
XLogP4.15
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.22
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(trifluoromethyl)anilino]phenol?
The IUPAC name of 4-[3-(trifluoromethyl)anilino]phenol (CID 82537277) is 4-[3-(trifluoromethyl)anilino]phenol.
What is the SMILES notation for 4-[3-(trifluoromethyl)anilino]phenol?
The canonical SMILES for 4-[3-(trifluoromethyl)anilino]phenol is Oc1ccc(Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-[3-(trifluoromethyl)anilino]phenol?
The InChIKey is NPPSTVSDTJKGMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c14-13(15,16)9-2-1-3-11(8-9)17-10-4-6-12(18)7-5-10/h1-8,17-18H.
What are the key properties of 4-[3-(trifluoromethyl)anilino]phenol?
4-[3-(trifluoromethyl)anilino]phenol has a molecular weight of 253.22 g/mol, XLogP of 4.15, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(trifluoromethyl)anilino]phenol is sourced from PubChem (CID 82537277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).