(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol

C9H12FNO — CID 54536952

IUPAC(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol
SMILESN[C@@H](CO)Cc1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKeyZALRUTRFOXROOU-SECBINFHSA-N
MW169.20 g/mol
LogP0.69
Rot. Bonds3

About (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol

(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol (PubChem CID 54536952) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol
PubChem CID54536952
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol
SMILESN[C@@H](CO)Cc1cccc(F)c1
InChIInChI=1S/C9H12FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKeyZALRUTRFOXROOU-SECBINFHSA-N
XLogP0.69
TPSA46.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.20
LogP ≤ 50.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol?
The IUPAC name of (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol (CID 54536952) is (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol.
What is the SMILES notation for (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol?
The canonical SMILES for (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol is N[C@@H](CO)Cc1cccc(F)c1.
What is the InChIKey of (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol?
The InChIKey is ZALRUTRFOXROOU-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FNO/c10-8-3-1-2-7(4-8)5-9(11)6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1.
What are the key properties of (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol?
(2R)-2-amino-3-(3-fluorophenyl)propan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 0.69, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(3-fluorophenyl)propan-1-ol is sourced from PubChem (CID 54536952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).