2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol

C15H14F3NO2 — CID 61048896

IUPAC2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO2/c16-10-4-3-5-11(8-10)19-13(9-20)12-6-1-2-7-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyYRERDCCRZLFZBN-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.57
Rot. Bonds6

About 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol

2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol (PubChem CID 61048896) has the molecular formula C15H14F3NO2 and a molecular weight of 297.28 g/mol. Its IUPAC name is 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol.

Molecular Properties

Compound Name2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol
PubChem CID61048896
Molecular FormulaC15H14F3NO2
Molecular Weight297.28 g/mol
Exact Mass297.10
IUPAC Name2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol
SMILESOCC(Nc1cccc(F)c1)c1ccccc1OC(F)F
InChIInChI=1S/C15H14F3NO2/c16-10-4-3-5-11(8-10)19-13(9-20)12-6-1-2-7-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2
InChIKeyYRERDCCRZLFZBN-UHFFFAOYSA-N
XLogP3.57
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-fluoroanilino)-2-(2-fluorophenyl)ethanol
CID 61048110
2-(cyclopentylamino)-2-[2-(difluoromethoxy)phenyl]ethanol
CID 61053945
2-(2-fluorophenyl)-2-(3-methylanilino)ethanol
CID 61050184
2-(3-bromophenyl)-2-(3-fluoroanilino)ethanol
CID 61048900
[[2-(difluoromethoxy)phenyl]-(3-fluorophenyl)methyl]hydrazine
CID 105285492
2-(3-chloroanilino)-2-(4-fluoro-2-methylphenyl)ethanol
CID 55038676
3-acetamido-N-[1-[2-(difluoromethoxy)phenyl]propyl]benzamide
CID 42959688
tert-butyl N-[1-[2-(difluoromethoxy)phenyl]-2-hydroxyethyl]carbamate
CID 140747337
2-(2-chlorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049315
2-(2,3-difluorophenyl)-2-(3-fluoro-5-methylanilino)ethanol
CID 79049466
2-(4-bromo-3-fluorophenyl)-2-(3-fluoroanilino)ethanol
CID 81440489
[2-(3-fluoroanilino)-2-oxoethyl] 2-(difluoromethoxy)benzoate
CID 2691652

Frequently Asked Questions

What is the IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol?
The IUPAC name of 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol (CID 61048896) is 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol.
What is the SMILES notation for 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol?
The canonical SMILES for 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol is OCC(Nc1cccc(F)c1)c1ccccc1OC(F)F.
What is the InChIKey of 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol?
The InChIKey is YRERDCCRZLFZBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO2/c16-10-4-3-5-11(8-10)19-13(9-20)12-6-1-2-7-14(12)21-15(17)18/h1-8,13,15,19-20H,9H2.
What are the key properties of 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol?
2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol has a molecular weight of 297.28 g/mol, XLogP of 3.57, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(difluoromethoxy)phenyl]-2-(3-fluoroanilino)ethanol is sourced from PubChem (CID 61048896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).