2-(2-amino-5-fluorophenoxy)propane-1,3-diol

C9H12FNO3 — CID 117095564

IUPAC2-(2-amino-5-fluorophenoxy)propane-1,3-diol
SMILESNc1ccc(F)cc1OC(CO)CO
InChIInChI=1S/C9H12FNO3/c10-6-1-2-8(11)9(3-6)14-7(4-12)5-13/h1-3,7,12-13H,4-5,11H2
InChIKeyAFJWWOYHSHCPBL-UHFFFAOYSA-N
MW201.20 g/mol
LogP0.14
Rot. Bonds4

About 2-(2-amino-5-fluorophenoxy)propane-1,3-diol

2-(2-amino-5-fluorophenoxy)propane-1,3-diol (PubChem CID 117095564) has the molecular formula C9H12FNO3 and a molecular weight of 201.20 g/mol. Its IUPAC name is 2-(2-amino-5-fluorophenoxy)propane-1,3-diol.

Molecular Properties

Compound Name2-(2-amino-5-fluorophenoxy)propane-1,3-diol
PubChem CID117095564
Molecular FormulaC9H12FNO3
Molecular Weight201.20 g/mol
Exact Mass201.08
IUPAC Name2-(2-amino-5-fluorophenoxy)propane-1,3-diol
SMILESNc1ccc(F)cc1OC(CO)CO
InChIInChI=1S/C9H12FNO3/c10-6-1-2-8(11)9(3-6)14-7(4-12)5-13/h1-3,7,12-13H,4-5,11H2
InChIKeyAFJWWOYHSHCPBL-UHFFFAOYSA-N
XLogP0.14
TPSA75.71 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.20
LogP ≤ 50.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2-(2-amino-5-fluorophenoxy)propane-1,3-diol with MolForge

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

Launch Full Analysis

Related Compounds

2-(1,3-difluoropropan-2-yloxy)-4-fluoroaniline
CID 58413286
4-fluoro-2-[(2R)-1-methoxyhexan-2-yl]oxyaniline
CID 145312390
(2-amino-5-fluorophenyl) 2-hydroxyacetate
CID 117095582
2-(2-amino-5-fluorophenoxy)butanoic acid
CID 64669488
2-[(1S)-1-ethoxy-2,2,2-trifluoroethoxy]-4-fluoroaniline
CID 125499554
(2-amino-5-fluorophenoxy)boronic acid
CID 142800926
2-(2-amino-5-fluorophenoxy)-N-(2-methylpropyl)propanamide
CID 43116075
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluorohexan-3-one
CID 153210712
(2R)-2-(2-amino-5-fluorophenoxy)-6,6,6-trifluoro-5-(trifluoromethyl)hexan-3-one
CID 162053244
1-(2-amino-5-fluorophenoxy)-2-methylpropan-2-ol
CID 67395856
1-(2,5-diaminophenoxy)ethane-1,2-diol
CID 144827067
(3S)-3-(2-amino-5-fluorophenoxy)-2,2-dimethylbutanenitrile
CID 129322807

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5-fluorophenoxy)propane-1,3-diol?
The IUPAC name of 2-(2-amino-5-fluorophenoxy)propane-1,3-diol (CID 117095564) is 2-(2-amino-5-fluorophenoxy)propane-1,3-diol.
What is the SMILES notation for 2-(2-amino-5-fluorophenoxy)propane-1,3-diol?
The canonical SMILES for 2-(2-amino-5-fluorophenoxy)propane-1,3-diol is Nc1ccc(F)cc1OC(CO)CO.
What is the InChIKey of 2-(2-amino-5-fluorophenoxy)propane-1,3-diol?
The InChIKey is AFJWWOYHSHCPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12FNO3/c10-6-1-2-8(11)9(3-6)14-7(4-12)5-13/h1-3,7,12-13H,4-5,11H2.
What are the key properties of 2-(2-amino-5-fluorophenoxy)propane-1,3-diol?
2-(2-amino-5-fluorophenoxy)propane-1,3-diol has a molecular weight of 201.20 g/mol, XLogP of 0.14, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5-fluorophenoxy)propane-1,3-diol is sourced from PubChem (CID 117095564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).