2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol

C20H15F4NO — CID 89443787

IUPAC2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol
SMILESCc1c(F)cc(-c2cccc(F)c2)cc1N(C)c1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F4NO/c1-11-16(23)9-13(12-4-3-5-14(21)8-12)10-17(11)25(2)20-15(22)6-7-18(26)19(20)24/h3-10,26H,1-2H3
InChIKeyLITBFFIVJAPZRA-UHFFFAOYSA-N
MW361.34 g/mol
LogP5.69
Rot. Bonds3

About 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol

2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol (PubChem CID 89443787) has the molecular formula C20H15F4NO and a molecular weight of 361.34 g/mol. Its IUPAC name is 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol
PubChem CID89443787
Molecular FormulaC20H15F4NO
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol
SMILESCc1c(F)cc(-c2cccc(F)c2)cc1N(C)c1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F4NO/c1-11-16(23)9-13(12-4-3-5-14(21)8-12)10-17(11)25(2)20-15(22)6-7-18(26)19(20)24/h3-10,26H,1-2H3
InChIKeyLITBFFIVJAPZRA-UHFFFAOYSA-N
XLogP5.69
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.34
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol?
The IUPAC name of 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol (CID 89443787) is 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol.
What is the SMILES notation for 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol?
The canonical SMILES for 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol is Cc1c(F)cc(-c2cccc(F)c2)cc1N(C)c1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol?
The InChIKey is LITBFFIVJAPZRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO/c1-11-16(23)9-13(12-4-3-5-14(21)8-12)10-17(11)25(2)20-15(22)6-7-18(26)19(20)24/h3-10,26H,1-2H3.
What are the key properties of 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol?
2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol has a molecular weight of 361.34 g/mol, XLogP of 5.69, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-difluoro-3-[3-fluoro-5-(3-fluorophenyl)-N,2-dimethylanilino]phenol is sourced from PubChem (CID 89443787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).