4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol

C13H10F3NO — CID 174494101

IUPAC4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
SMILESCNc1c(-c2ccc(O)cc2)cc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO/c1-17-13-9(6-10(14)11(15)12(13)16)7-2-4-8(18)5-3-7/h2-6,17-18H,1H3
InChIKeyWDEUVGREQWYWOV-UHFFFAOYSA-N
MW253.22 g/mol
LogP3.52
Rot. Bonds2

About 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol

4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol (PubChem CID 174494101) has the molecular formula C13H10F3NO and a molecular weight of 253.22 g/mol. Its IUPAC name is 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol.

Molecular Properties

Compound Name4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
PubChem CID174494101
Molecular FormulaC13H10F3NO
Molecular Weight253.22 g/mol
Exact Mass253.07
IUPAC Name4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol
SMILESCNc1c(-c2ccc(O)cc2)cc(F)c(F)c1F
InChIInChI=1S/C13H10F3NO/c1-17-13-9(6-10(14)11(15)12(13)16)7-2-4-8(18)5-3-7/h2-6,17-18H,1H3
InChIKeyWDEUVGREQWYWOV-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol?
The IUPAC name of 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol (CID 174494101) is 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol.
What is the SMILES notation for 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol?
The canonical SMILES for 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol is CNc1c(-c2ccc(O)cc2)cc(F)c(F)c1F.
What is the InChIKey of 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol?
The InChIKey is WDEUVGREQWYWOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F3NO/c1-17-13-9(6-10(14)11(15)12(13)16)7-2-4-8(18)5-3-7/h2-6,17-18H,1H3.
What are the key properties of 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol?
4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol has a molecular weight of 253.22 g/mol, XLogP of 3.52, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3,4,5-trifluoro-2-(methylamino)phenyl]phenol is sourced from PubChem (CID 174494101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).