1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol

C9H11F2NO3 — CID 170817924

IUPAC1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
SMILESNc1ccc(F)c(C(O)C(O)CO)c1F
InChIInChI=1S/C9H11F2NO3/c10-4-1-2-5(12)8(11)7(4)9(15)6(14)3-13/h1-2,6,9,13-15H,3,12H2
InChIKeyMOJCSSYUZHEKNG-UHFFFAOYSA-N
MW219.19 g/mol
LogP-0.07
Rot. Bonds3

About 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol

1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol (PubChem CID 170817924) has the molecular formula C9H11F2NO3 and a molecular weight of 219.19 g/mol. Its IUPAC name is 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol.

Molecular Properties

Compound Name1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
PubChem CID170817924
Molecular FormulaC9H11F2NO3
Molecular Weight219.19 g/mol
Exact Mass219.07
IUPAC Name1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol
SMILESNc1ccc(F)c(C(O)C(O)CO)c1F
InChIInChI=1S/C9H11F2NO3/c10-4-1-2-5(12)8(11)7(4)9(15)6(14)3-13/h1-2,6,9,13-15H,3,12H2
InChIKeyMOJCSSYUZHEKNG-UHFFFAOYSA-N
XLogP-0.07
TPSA86.71 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.19
LogP ≤ 5-0.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-(3-amino-2,6-difluorophenyl)-3-sulfanylpropane-1,2-diol
CID 170819942
4-amino-1-(3-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881323
1-(2,6-difluoro-3-methylphenyl)propane-1,2,3-triol
CID 170819048
S-[3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822000
ethyl 3-(3-amino-2,6-difluorophenyl)-2,3-dihydroxypropanoate
CID 171866170
S-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl] ethanethioate
CID 170822007
1-(2-amino-6-fluorophenyl)-3-bromopropane-1,2-diol
CID 171859699
1-(4-chloro-2-fluorophenyl)propane-1,2,3-triol
CID 170817442
N-[3-(6-amino-2,3-difluorophenyl)-2,3-dihydroxypropyl]acetamide
CID 170830131
3-amino-1-(2-chloro-3,6-difluorophenyl)propane-1,2-diol
CID 170829227
3-(3-amino-2,6-difluorophenyl)prop-2-en-1-ol
CID 169453360
1-(4-amino-3-hydroxyphenyl)propane-1,2,3-triol
CID 170817629

Frequently Asked Questions

What is the IUPAC name of 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol?
The IUPAC name of 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol (CID 170817924) is 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol.
What is the SMILES notation for 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol?
The canonical SMILES for 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol is Nc1ccc(F)c(C(O)C(O)CO)c1F.
What is the InChIKey of 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol?
The InChIKey is MOJCSSYUZHEKNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO3/c10-4-1-2-5(12)8(11)7(4)9(15)6(14)3-13/h1-2,6,9,13-15H,3,12H2.
What are the key properties of 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol?
1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol has a molecular weight of 219.19 g/mol, XLogP of -0.07, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-amino-2,6-difluorophenyl)propane-1,2,3-triol is sourced from PubChem (CID 170817924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).