(2R)-4-(2-fluorophenyl)but-3-yn-2-amine

C10H10FN — CID 164674435

IUPAC(2R)-4-(2-fluorophenyl)but-3-yn-2-amine
SMILESC[C@@H](N)C#Cc1ccccc1F
InChIInChI=1S/C10H10FN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,12H2,1H3/t8-/m1/s1
InChIKeyMSYUMRSEEMGLQO-MRVPVSSYSA-N
MW163.19 g/mol
LogP1.52
Rot. Bonds

About (2R)-4-(2-fluorophenyl)but-3-yn-2-amine

(2R)-4-(2-fluorophenyl)but-3-yn-2-amine (PubChem CID 164674435) has the molecular formula C10H10FN and a molecular weight of 163.19 g/mol. Its IUPAC name is (2R)-4-(2-fluorophenyl)but-3-yn-2-amine.

Molecular Properties

Compound Name(2R)-4-(2-fluorophenyl)but-3-yn-2-amine
PubChem CID164674435
Molecular FormulaC10H10FN
Molecular Weight163.19 g/mol
Exact Mass163.08
IUPAC Name(2R)-4-(2-fluorophenyl)but-3-yn-2-amine
SMILESC[C@@H](N)C#Cc1ccccc1F
InChIInChI=1S/C10H10FN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,12H2,1H3/t8-/m1/s1
InChIKeyMSYUMRSEEMGLQO-MRVPVSSYSA-N
XLogP1.52
TPSA26.02 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.19
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze (2R)-4-(2-fluorophenyl)but-3-yn-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2R)-4-(2-fluorophenyl)but-3-yn-2-amine?
The IUPAC name of (2R)-4-(2-fluorophenyl)but-3-yn-2-amine (CID 164674435) is (2R)-4-(2-fluorophenyl)but-3-yn-2-amine.
What is the SMILES notation for (2R)-4-(2-fluorophenyl)but-3-yn-2-amine?
The canonical SMILES for (2R)-4-(2-fluorophenyl)but-3-yn-2-amine is C[C@@H](N)C#Cc1ccccc1F.
What is the InChIKey of (2R)-4-(2-fluorophenyl)but-3-yn-2-amine?
The InChIKey is MSYUMRSEEMGLQO-MRVPVSSYSA-N. The full InChI is InChI=1S/C10H10FN/c1-8(12)6-7-9-4-2-3-5-10(9)11/h2-5,8H,12H2,1H3/t8-/m1/s1.
What are the key properties of (2R)-4-(2-fluorophenyl)but-3-yn-2-amine?
(2R)-4-(2-fluorophenyl)but-3-yn-2-amine has a molecular weight of 163.19 g/mol, XLogP of 1.52, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-4-(2-fluorophenyl)but-3-yn-2-amine is sourced from PubChem (CID 164674435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).