1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol

C10H12ClFN2O — CID 66079196

IUPAC1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol
SMILESNc1cc(Cl)c(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H12ClFN2O/c11-7-3-9(13)10(4-8(7)12)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5,13H2
InChIKeyWCYKBMORKGCGEC-UHFFFAOYSA-N
MW230.67 g/mol
LogP1.63
Rot. Bonds1

About 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol

1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol (PubChem CID 66079196) has the molecular formula C10H12ClFN2O and a molecular weight of 230.67 g/mol. Its IUPAC name is 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol.

Molecular Properties

Compound Name1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol
PubChem CID66079196
Molecular FormulaC10H12ClFN2O
Molecular Weight230.67 g/mol
Exact Mass230.06
IUPAC Name1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol
SMILESNc1cc(Cl)c(F)cc1N1CCC(O)C1
InChIInChI=1S/C10H12ClFN2O/c11-7-3-9(13)10(4-8(7)12)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5,13H2
InChIKeyWCYKBMORKGCGEC-UHFFFAOYSA-N
XLogP1.63
TPSA49.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.67
LogP ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol 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 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol?
The IUPAC name of 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol (CID 66079196) is 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol.
What is the SMILES notation for 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol?
The canonical SMILES for 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol is Nc1cc(Cl)c(F)cc1N1CCC(O)C1.
What is the InChIKey of 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol?
The InChIKey is WCYKBMORKGCGEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClFN2O/c11-7-3-9(13)10(4-8(7)12)14-2-1-6(15)5-14/h3-4,6,15H,1-2,5,13H2.
What are the key properties of 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol?
1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol has a molecular weight of 230.67 g/mol, XLogP of 1.63, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-4-chloro-5-fluorophenyl)pyrrolidin-3-ol is sourced from PubChem (CID 66079196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).