2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol

C21H18F3NO — CID 89445491

IUPAC2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(O)c2F)c1C
InChIInChI=1S/C21H18F3NO/c1-12-8-15(14-4-3-5-17(22)10-14)9-16(13(12)2)11-25-21-18(23)6-7-19(26)20(21)24/h3-10,25-26H,11H2,1-2H3
InChIKeyGSXXVNSXVISTCY-UHFFFAOYSA-N
MW357.38 g/mol
LogP5.71
Rot. Bonds4

About 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol

2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol (PubChem CID 89445491) has the molecular formula C21H18F3NO and a molecular weight of 357.38 g/mol. Its IUPAC name is 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol
PubChem CID89445491
Molecular FormulaC21H18F3NO
Molecular Weight357.38 g/mol
Exact Mass357.13
IUPAC Name2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol
SMILESCc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(O)c2F)c1C
InChIInChI=1S/C21H18F3NO/c1-12-8-15(14-4-3-5-17(22)10-14)9-16(13(12)2)11-25-21-18(23)6-7-19(26)20(21)24/h3-10,25-26H,11H2,1-2H3
InChIKeyGSXXVNSXVISTCY-UHFFFAOYSA-N
XLogP5.71
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.38
LogP ≤ 55.71
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-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol?
The IUPAC name of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol (CID 89445491) is 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol.
What is the SMILES notation for 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol?
The canonical SMILES for 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol is Cc1cc(-c2cccc(F)c2)cc(CNc2c(F)ccc(O)c2F)c1C.
What is the InChIKey of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol?
The InChIKey is GSXXVNSXVISTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO/c1-12-8-15(14-4-3-5-17(22)10-14)9-16(13(12)2)11-25-21-18(23)6-7-19(26)20(21)24/h3-10,25-26H,11H2,1-2H3.
What are the key properties of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol?
2,4-difluoro-3-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol has a molecular weight of 357.38 g/mol, XLogP of 5.71, 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-[[5-(3-fluorophenyl)-2,3-dimethylphenyl]methylamino]phenol is sourced from PubChem (CID 89445491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).