2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol

C14H12F3NO2 — CID 107711042

IUPAC2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1c(F)cc(F)cc1F)c1c(O)cccc1O
InChIInChI=1S/C14H12F3NO2/c1-7(13-11(19)3-2-4-12(13)20)18-14-9(16)5-8(15)6-10(14)17/h2-7,18-20H,1H3
InChIKeyXUFCGLMQZRFLMI-UHFFFAOYSA-N
MW283.25 g/mol
LogP3.69
Rot. Bonds3

About 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol

2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol (PubChem CID 107711042) has the molecular formula C14H12F3NO2 and a molecular weight of 283.25 g/mol. Its IUPAC name is 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol.

Molecular Properties

Compound Name2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol
PubChem CID107711042
Molecular FormulaC14H12F3NO2
Molecular Weight283.25 g/mol
Exact Mass283.08
IUPAC Name2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol
SMILESCC(Nc1c(F)cc(F)cc1F)c1c(O)cccc1O
InChIInChI=1S/C14H12F3NO2/c1-7(13-11(19)3-2-4-12(13)20)18-14-9(16)5-8(15)6-10(14)17/h2-7,18-20H,1H3
InChIKeyXUFCGLMQZRFLMI-UHFFFAOYSA-N
XLogP3.69
TPSA52.49 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.25
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

2-[1-(3-fluoro-4-hydroxyanilino)ethyl]benzene-1,3-diol
CID 107711014
2-[1-(2,4,6-trichloroanilino)ethyl]benzene-1,3-diol
CID 107710532
2-[1-[1-(2,4-difluorophenyl)ethylamino]ethyl]benzene-1,3-diol
CID 107710599
2-[1-(2-chloro-5-fluoroanilino)ethyl]benzene-1,3-diol
CID 107711364
N-[1-(4-chloro-3-fluorophenyl)ethyl]-2,4,6-trifluoroaniline
CID 83069311
2-[1-(3-methylsulfanylanilino)ethyl]benzene-1,3-diol
CID 107710302
2-[1-(2-ethoxy-4-fluoroanilino)ethyl]benzene-1,3-diol
CID 107710696
2-[1-(2-chloro-4,6-difluoroanilino)ethyl]-5-methylphenol
CID 83081884
N-[1-(2,6-difluorophenyl)ethyl]-2,4,6-trimethylaniline
CID 63448442
2-[1-(3-bromoanilino)ethyl]benzene-1,3-diol
CID 107710405
2-bromo-N-[1-(3-chlorophenyl)ethyl]-4,6-difluoroaniline
CID 43347591
4-[1-(2-chloro-4,6-difluoroanilino)ethyl]-2-methoxyphenol
CID 83073198

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol?
The IUPAC name of 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol (CID 107711042) is 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol.
What is the SMILES notation for 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol?
The canonical SMILES for 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol is CC(Nc1c(F)cc(F)cc1F)c1c(O)cccc1O.
What is the InChIKey of 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol?
The InChIKey is XUFCGLMQZRFLMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F3NO2/c1-7(13-11(19)3-2-4-12(13)20)18-14-9(16)5-8(15)6-10(14)17/h2-7,18-20H,1H3.
What are the key properties of 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol?
2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol has a molecular weight of 283.25 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,4,6-trifluoroanilino)ethyl]benzene-1,3-diol is sourced from PubChem (CID 107711042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).