1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol

C9H10F2N4O2 — CID 170826103

IUPAC1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1c(F)cc(N)cc1F
InChIInChI=1S/C9H10F2N4O2/c10-5-1-4(12)2-6(11)8(5)9(17)7(16)3-14-15-13/h1-2,7,9,16-17H,3,12H2
InChIKeyWQIZWGRMLWHQFA-UHFFFAOYSA-N
MW244.20 g/mol
LogP1.25
Rot. Bonds4

About 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol

1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol (PubChem CID 170826103) has the molecular formula C9H10F2N4O2 and a molecular weight of 244.20 g/mol. Its IUPAC name is 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol.

Molecular Properties

Compound Name1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
PubChem CID170826103
Molecular FormulaC9H10F2N4O2
Molecular Weight244.20 g/mol
Exact Mass244.08
IUPAC Name1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol
SMILES[N-]=[N+]=NCC(O)C(O)c1c(F)cc(N)cc1F
InChIInChI=1S/C9H10F2N4O2/c10-5-1-4(12)2-6(11)8(5)9(17)7(16)3-14-15-13/h1-2,7,9,16-17H,3,12H2
InChIKeyWQIZWGRMLWHQFA-UHFFFAOYSA-N
XLogP1.25
TPSA115.24 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.20
LogP ≤ 51.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

3-azido-1-(4-chloro-2,6-difluorophenyl)propane-1,2-diol
CID 170827235
3-azido-1-(2,3,5,6-tetrafluorophenyl)propane-1,2-diol
CID 170826276
3-azido-1-(2-bromo-4,6-difluorophenyl)propane-1,2-diol
CID 170827136
1-(4-amino-2-fluoro-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170826043
4-azido-1-(2,6-difluoro-4-hydroxyphenyl)butane-1,2-diol
CID 171879424
4-amino-1-(4-amino-2,6-difluorophenyl)butane-1,2-diol
CID 171881338
1-(3-amino-5-methylphenyl)-3-azidopropane-1,2-diol
CID 170825760
3-azido-1-(3,5-dichloro-4-fluorophenyl)propane-1,2-diol
CID 170825846
1-(2-amino-5-chlorophenyl)-3-azidopropane-1,2-diol
CID 170825722
3-azido-1-(5-bromo-2-fluorophenyl)propane-1,2-diol
CID 170827097
3-azido-1-(2,5-dichloro-3-fluorophenyl)propane-1,2-diol
CID 170825838
1-(4-amino-2,6-difluorophenyl)-4-sulfanylbutane-1,2-diol
CID 171874173

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol?
The IUPAC name of 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol (CID 170826103) is 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol.
What is the SMILES notation for 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol?
The canonical SMILES for 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol is [N-]=[N+]=NCC(O)C(O)c1c(F)cc(N)cc1F.
What is the InChIKey of 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol?
The InChIKey is WQIZWGRMLWHQFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F2N4O2/c10-5-1-4(12)2-6(11)8(5)9(17)7(16)3-14-15-13/h1-2,7,9,16-17H,3,12H2.
What are the key properties of 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol?
1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol has a molecular weight of 244.20 g/mol, XLogP of 1.25, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-2,6-difluorophenyl)-3-azidopropane-1,2-diol is sourced from PubChem (CID 170826103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).