(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol

C15H14F4N2O — CID 118397061

About (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol

(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol (PubChem CID 118397061) has the molecular formula C15H14F4N2O and a molecular weight of 314.28 g/mol. Its IUPAC name is (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol.

Molecular Properties

• Compound Name: (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
• PubChem CID: 118397061
• Molecular Formula: C15H14F4N2O
• Molecular Weight: 314.28 g/mol
• Exact Mass: 314.10
• IUPAC Name: (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
• SMILES: Cc1ccc(C(F)(F)[C@](O)(CN)c2ccc(F)cc2F)nc1
• InChI: InChI=1S/C15H14F4N2O/c1-9-2-5-13(21-7-9)15(18,19)14(22,8-20)11-4-3-10(16)6-12(11)17/h2-7,22H,8,20H2,1H3/t14-/m0/s1
• InChIKey: IHDUCNZRXDYVPQ-AWEZNQCLSA-N
• XLogP: 2.61
• TPSA: 59.14 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.28
LogP ≤ 5	2.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol?

The IUPAC name of (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol (CID 118397061) is (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol.

What is the SMILES notation for (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol?

The canonical SMILES for (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol is Cc1ccc(C(F)(F)[C@](O)(CN)c2ccc(F)cc2F)nc1.

What is the InChIKey of (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol?

The InChIKey is IHDUCNZRXDYVPQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H14F4N2O/c1-9-2-5-13(21-7-9)15(18,19)14(22,8-20)11-4-3-10(16)6-12(11)17/h2-7,22H,8,20H2,1H3/t14-/m0/s1.

What are the key properties of (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol?

(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol has a molecular weight of 314.28 g/mol, XLogP of 2.61, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol is sourced from PubChem (CID 118397061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).