1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol

C11H15FN2O2 — CID 106667782

IUPAC1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
SMILESNc1ccc(CN2CC(O)C(O)C2)cc1F
InChIInChI=1S/C11H15FN2O2/c12-8-3-7(1-2-9(8)13)4-14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2
InChIKeyQUEBHYBOWMJANN-UHFFFAOYSA-N
MW226.25 g/mol
LogP-0.05
Rot. Bonds2

About 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol

1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol (PubChem CID 106667782) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol.

Molecular Properties

Compound Name1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
PubChem CID106667782
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC Name1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol
SMILESNc1ccc(CN2CC(O)C(O)C2)cc1F
InChIInChI=1S/C11H15FN2O2/c12-8-3-7(1-2-9(8)13)4-14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2
InChIKeyQUEBHYBOWMJANN-UHFFFAOYSA-N
XLogP-0.05
TPSA69.72 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-fluoro-4-methoxyphenyl)methyl]pyrrolidine-3,4-diol
CID 106672792
4-[(4-ethylpiperazin-1-yl)methyl]-2-fluoroaniline
CID 63188373
[4-[(4-amino-3-fluorophenyl)methyl]morpholin-2-yl]methanol
CID 81205798
1-[(4-amino-3-fluorophenyl)methyl]-N,N-dimethylpiperidin-4-amine
CID 55159077
2-fluoro-4-[(4-methyl-1,4-diazepan-1-yl)methyl]aniline
CID 63188505
4-[(4,4-dimethylazepan-1-yl)methyl]-2-fluoroaniline
CID 65282779
2-fluoro-4-[[4-(oxolan-3-yl)piperazin-1-yl]methyl]aniline
CID 175034441
4-[(2,5-dimethylmorpholin-4-yl)methyl]-2-fluoroaniline
CID 55159075
1-[(4-ethylphenyl)methyl]pyrrolidine-3,4-diol
CID 106672342
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-ylmethyl)-2-fluoroaniline
CID 82747102
1-[(3,4-difluorophenyl)methyl]-4-methylpyrrolidin-3-amine
CID 103575586
2-fluoro-4-(iodomethyl)aniline
CID 160977967

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol?
The IUPAC name of 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol (CID 106667782) is 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol.
What is the SMILES notation for 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol?
The canonical SMILES for 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol is Nc1ccc(CN2CC(O)C(O)C2)cc1F.
What is the InChIKey of 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol?
The InChIKey is QUEBHYBOWMJANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c12-8-3-7(1-2-9(8)13)4-14-5-10(15)11(16)6-14/h1-3,10-11,15-16H,4-6,13H2.
What are the key properties of 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol?
1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol has a molecular weight of 226.25 g/mol, XLogP of -0.05, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-3-fluorophenyl)methyl]pyrrolidine-3,4-diol is sourced from PubChem (CID 106667782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).