[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol

C15H14F3NO — CID 63077393

IUPAC[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccccc1F)c1c(F)cc(CO)cc1F
InChIInChI=1S/C15H14F3NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3
InChIKeyDAGUFVSWBUEHGS-UHFFFAOYSA-N
MW281.28 g/mol
LogP3.23
Rot. Bonds4

About [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol

[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol (PubChem CID 63077393) has the molecular formula C15H14F3NO and a molecular weight of 281.28 g/mol. Its IUPAC name is [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol.

Molecular Properties

Compound Name[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
PubChem CID63077393
Molecular FormulaC15H14F3NO
Molecular Weight281.28 g/mol
Exact Mass281.10
IUPAC Name[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol
SMILESCN(Cc1ccccc1F)c1c(F)cc(CO)cc1F
InChIInChI=1S/C15H14F3NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3
InChIKeyDAGUFVSWBUEHGS-UHFFFAOYSA-N
XLogP3.23
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol?
The IUPAC name of [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol (CID 63077393) is [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol.
What is the SMILES notation for [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol?
The canonical SMILES for [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol is CN(Cc1ccccc1F)c1c(F)cc(CO)cc1F.
What is the InChIKey of [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol?
The InChIKey is DAGUFVSWBUEHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F3NO/c1-19(8-11-4-2-3-5-12(11)16)15-13(17)6-10(9-20)7-14(15)18/h2-7,20H,8-9H2,1H3.
What are the key properties of [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol?
[3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol has a molecular weight of 281.28 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3,5-difluoro-4-[(2-fluorophenyl)methyl-methylamino]phenyl]methanol is sourced from PubChem (CID 63077393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).