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

C20H16F3NO — CID 89445453

IUPAC2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
SMILESCc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F
InChIInChI=1S/C20H16F3NO/c1-12-5-6-14(13-3-2-4-16(21)10-13)9-15(12)11-24-20-17(22)7-8-18(25)19(20)23/h2-10,24-25H,11H2,1H3
InChIKeyVASROJLLFPVMFF-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.40
Rot. Bonds4

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

2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol (PubChem CID 89445453) has the molecular formula C20H16F3NO and a molecular weight of 343.35 g/mol. Its IUPAC name is 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol.

Molecular Properties

Compound Name2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
PubChem CID89445453
Molecular FormulaC20H16F3NO
Molecular Weight343.35 g/mol
Exact Mass343.12
IUPAC Name2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol
SMILESCc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F
InChIInChI=1S/C20H16F3NO/c1-12-5-6-14(13-3-2-4-16(21)10-13)9-15(12)11-24-20-17(22)7-8-18(25)19(20)23/h2-10,24-25H,11H2,1H3
InChIKeyVASROJLLFPVMFF-UHFFFAOYSA-N
XLogP5.40
TPSA32.26 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.40
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-methylphenyl]methylamino]phenol?
The IUPAC name of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol (CID 89445453) is 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol.
What is the SMILES notation for 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
The canonical SMILES for 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol is Cc1ccc(-c2cccc(F)c2)cc1CNc1c(F)ccc(O)c1F.
What is the InChIKey of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
The InChIKey is VASROJLLFPVMFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F3NO/c1-12-5-6-14(13-3-2-4-16(21)10-13)9-15(12)11-24-20-17(22)7-8-18(25)19(20)23/h2-10,24-25H,11H2,1H3.
What are the key properties of 2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol?
2,4-difluoro-3-[[5-(3-fluorophenyl)-2-methylphenyl]methylamino]phenol has a molecular weight of 343.35 g/mol, XLogP of 5.40, 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-methylphenyl]methylamino]phenol is sourced from PubChem (CID 89445453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).