2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol

C20H15F4NO — CID 89467105

IUPAC2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol
SMILESCC(Nc1c(F)ccc(O)c1F)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C20H15F4NO/c1-11(25-20-17(23)7-8-18(26)19(20)24)15-10-13(5-6-16(15)22)12-3-2-4-14(21)9-12/h2-11,25-26H,1H3
InChIKeyYBLYXAWGUAFLDL-UHFFFAOYSA-N
MW361.34 g/mol
LogP5.79
Rot. Bonds4

About 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol

2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol (PubChem CID 89467105) has the molecular formula C20H15F4NO and a molecular weight of 361.34 g/mol. Its IUPAC name is 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol
PubChem CID89467105
Molecular FormulaC20H15F4NO
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol
SMILESCC(Nc1c(F)ccc(O)c1F)c1cc(-c2cccc(F)c2)ccc1F
InChIInChI=1S/C20H15F4NO/c1-11(25-20-17(23)7-8-18(26)19(20)24)15-10-13(5-6-16(15)22)12-3-2-4-14(21)9-12/h2-11,25-26H,1H3
InChIKeyYBLYXAWGUAFLDL-UHFFFAOYSA-N
XLogP5.79
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.34
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol?
The IUPAC name of 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol (CID 89467105) is 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol.
What is the SMILES notation for 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol?
The canonical SMILES for 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol is CC(Nc1c(F)ccc(O)c1F)c1cc(-c2cccc(F)c2)ccc1F.
What is the InChIKey of 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol?
The InChIKey is YBLYXAWGUAFLDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO/c1-11(25-20-17(23)7-8-18(26)19(20)24)15-10-13(5-6-16(15)22)12-3-2-4-14(21)9-12/h2-11,25-26H,1H3.
What are the key properties of 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol?
2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol has a molecular weight of 361.34 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[1-[2-fluoro-5-(3-fluorophenyl)phenyl]ethylamino]phenol is sourced from PubChem (CID 89467105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).