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

C20H15F4NO — CID 89443789

IUPAC2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
SMILESCc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F4NO/c1-11-14(10-25-20-16(22)5-6-18(26)19(20)24)7-13(9-17(11)23)12-3-2-4-15(21)8-12/h2-9,25-26H,10H2,1H3
InChIKeyUOWCPENAIAHERV-UHFFFAOYSA-N
MW361.34 g/mol
LogP5.54
Rot. Bonds4

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

2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol (PubChem CID 89443789) 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)-2-methylphenyl]methylamino]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
PubChem CID89443789
Molecular FormulaC20H15F4NO
Molecular Weight361.34 g/mol
Exact Mass361.11
IUPAC Name2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
SMILESCc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F
InChIInChI=1S/C20H15F4NO/c1-11-14(10-25-20-16(22)5-6-18(26)19(20)24)7-13(9-17(11)23)12-3-2-4-15(21)8-12/h2-9,25-26H,10H2,1H3
InChIKeyUOWCPENAIAHERV-UHFFFAOYSA-N
XLogP5.54
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 ≤ 55.54
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-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
The IUPAC name of 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol (CID 89443789) is 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol.
What is the SMILES notation for 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
The canonical SMILES for 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol is Cc1c(F)cc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
The InChIKey is UOWCPENAIAHERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F4NO/c1-11-14(10-25-20-16(22)5-6-18(26)19(20)24)7-13(9-17(11)23)12-3-2-4-15(21)8-12/h2-9,25-26H,10H2,1H3.
What are the key properties of 2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
2,4-difluoro-3-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol has a molecular weight of 361.34 g/mol, XLogP of 5.54, 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-[[3-fluoro-5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol is sourced from PubChem (CID 89443789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).