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

C15H14F4N2O — CID 118397061

IUPAC(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
SMILESCc1ccc(C(F)(F)[C@](O)(CN)c2ccc(F)cc2F)nc1
InChIInChI=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
InChIKeyIHDUCNZRXDYVPQ-AWEZNQCLSA-N
MW314.28 g/mol
LogP2.61
Rot. Bonds4

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 CID118397061
Molecular FormulaC15H14F4N2O
Molecular Weight314.28 g/mol
Exact Mass314.10
IUPAC Name(2R)-3-amino-2-(2,4-difluorophenyl)-1,1-difluoro-1-(5-methyl-2-pyridinyl)propan-2-ol
SMILESCc1ccc(C(F)(F)[C@](O)(CN)c2ccc(F)cc2F)nc1
InChIInChI=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
InChIKeyIHDUCNZRXDYVPQ-AWEZNQCLSA-N
XLogP2.61
TPSA59.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.28
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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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).