4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol

C10H14FN5O2 — CID 171879429

IUPAC4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(NN)c(F)c1
InChIInChI=1S/C10H14FN5O2/c11-7-5-6(1-2-8(7)15-12)10(18)9(17)3-4-14-16-13/h1-2,5,9-10,15,17-18H,3-4,12H2
InChIKeyDRLFCYMENJHLDP-UHFFFAOYSA-N
MW255.25 g/mol
LogP1.21
Rot. Bonds6

About 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol

4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol (PubChem CID 171879429) has the molecular formula C10H14FN5O2 and a molecular weight of 255.25 g/mol. Its IUPAC name is 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol.

Molecular Properties

Compound Name4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol
PubChem CID171879429
Molecular FormulaC10H14FN5O2
Molecular Weight255.25 g/mol
Exact Mass255.11
IUPAC Name4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol
SMILES[N-]=[N+]=NCCC(O)C(O)c1ccc(NN)c(F)c1
InChIInChI=1S/C10H14FN5O2/c11-7-5-6(1-2-8(7)15-12)10(18)9(17)3-4-14-16-13/h1-2,5,9-10,15,17-18H,3-4,12H2
InChIKeyDRLFCYMENJHLDP-UHFFFAOYSA-N
XLogP1.21
TPSA127.27 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 51.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Azido_group', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-azido-1-(4-bromo-3-fluorophenyl)butane-1,2-diol
CID 171880550
1-(3-fluoro-4-hydrazinylphenyl)-3-sulfanylpropane-1,2-diol
CID 170819840
4-azido-1-(4-chloro-3,5-difluorophenyl)butane-1,2-diol
CID 171879291
S-[4-(3-fluoro-4-hydrazinylphenyl)-3,4-dihydroxybutyl] ethanethioate
CID 171875848
1-(3-fluoro-4-hydrazinylphenyl)-3-(methylamino)propane-1,2-diol
CID 171857917
1-(4-amino-3-hydroxyphenyl)-4-azidobutane-1,2-diol
CID 171879233
4-azido-1-(4-chloro-3-hydroxyphenyl)butane-1,2-diol
CID 171879070
4-azido-1-(4-sulfanylphenyl)butane-1,2-diol
CID 171878886
N-[3-(3-fluoro-4-hydrazinylphenyl)-2,3-dihydroxypropyl]acetamide
CID 170830022
2-amino-5-(4-azido-1,2-dihydroxybutyl)benzoic acid
CID 171879916
5-(4-azido-1,2-dihydroxybutyl)-1-benzofuran-2-carboxylic acid
CID 171880277
4-azido-1-[4-(methylamino)-3-nitrophenyl]butane-1,2-diol
CID 171880103

Frequently Asked Questions

What is the IUPAC name of 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol?
The IUPAC name of 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol (CID 171879429) is 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol.
What is the SMILES notation for 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol?
The canonical SMILES for 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol is [N-]=[N+]=NCCC(O)C(O)c1ccc(NN)c(F)c1.
What is the InChIKey of 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol?
The InChIKey is DRLFCYMENJHLDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN5O2/c11-7-5-6(1-2-8(7)15-12)10(18)9(17)3-4-14-16-13/h1-2,5,9-10,15,17-18H,3-4,12H2.
What are the key properties of 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol?
4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol has a molecular weight of 255.25 g/mol, XLogP of 1.21, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-azido-1-(3-fluoro-4-hydrazinylphenyl)butane-1,2-diol is sourced from PubChem (CID 171879429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).