(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol

C13H14FN3O — CID 148680815

IUPAC(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C13H14FN3O/c14-7-12(15)13(18)10-3-1-9(2-4-10)11-5-6-16-17-8-11/h1-6,8,12-13,18H,7,15H2/t12-,13-/m1/s1
InChIKeyNROGNFIOCIPUIH-CHWSQXEVSA-N
MW247.27 g/mol
LogP1.47
Rot. Bonds4

About (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol

(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol (PubChem CID 148680815) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol.

Molecular Properties

Compound Name(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol
PubChem CID148680815
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol
SMILESN[C@H](CF)[C@H](O)c1ccc(-c2ccnnc2)cc1
InChIInChI=1S/C13H14FN3O/c14-7-12(15)13(18)10-3-1-9(2-4-10)11-5-6-16-17-8-11/h1-6,8,12-13,18H,7,15H2/t12-,13-/m1/s1
InChIKeyNROGNFIOCIPUIH-CHWSQXEVSA-N
XLogP1.47
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol?
The IUPAC name of (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol (CID 148680815) is (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol.
What is the SMILES notation for (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol?
The canonical SMILES for (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol is N[C@H](CF)[C@H](O)c1ccc(-c2ccnnc2)cc1.
What is the InChIKey of (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol?
The InChIKey is NROGNFIOCIPUIH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-7-12(15)13(18)10-3-1-9(2-4-10)11-5-6-16-17-8-11/h1-6,8,12-13,18H,7,15H2/t12-,13-/m1/s1.
What are the key properties of (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol?
(1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol has a molecular weight of 247.27 g/mol, XLogP of 1.47, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2S)-2-amino-3-fluoro-1-(4-pyridazin-4-ylphenyl)propan-1-ol is sourced from PubChem (CID 148680815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).