(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol

C9H12FNO — CID 10197883

IUPAC(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKeyCCJPLYPJQZYBLI-SECBINFHSA-N
MW169.20 g/mol
LogP1.21
Rot. Bonds3

About (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol

(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol (PubChem CID 10197883) has the molecular formula C9H12FNO and a molecular weight of 169.20 g/mol. Its IUPAC name is (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol.

Molecular Properties

Compound Name(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol
PubChem CID10197883
Molecular FormulaC9H12FNO
Molecular Weight169.20 g/mol
Exact Mass169.09
IUPAC Name(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol
SMILESN[C@H](CCO)c1ccc(F)cc1
InChIInChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1
InChIKeyCCJPLYPJQZYBLI-SECBINFHSA-N
XLogP1.21
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 ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol?
The IUPAC name of (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol (CID 10197883) is (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol.
What is the SMILES notation for (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol?
The canonical SMILES for (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol is N[C@H](CCO)c1ccc(F)cc1.
What is the InChIKey of (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol?
The InChIKey is CCJPLYPJQZYBLI-SECBINFHSA-N. The full InChI is InChI=1S/C9H12FNO/c10-8-3-1-7(2-4-8)9(11)5-6-12/h1-4,9,12H,5-6,11H2/t9-/m1/s1.
What are the key properties of (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol?
(3R)-3-amino-3-(4-fluorophenyl)propan-1-ol has a molecular weight of 169.20 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-amino-3-(4-fluorophenyl)propan-1-ol is sourced from PubChem (CID 10197883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).