4-(3-azidoprop-1-enyl)-2,3-difluorophenol

C9H7F2N3O — CID 169461687

IUPAC4-(3-azidoprop-1-enyl)-2,3-difluorophenol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)c(F)c1F
InChIInChI=1S/C9H7F2N3O/c10-8-6(2-1-5-13-14-12)3-4-7(15)9(8)11/h1-4,15H,5H2
InChIKeyQEIUKTNTFSXGFY-UHFFFAOYSA-N
MW211.17 g/mol
LogP2.99
Rot. Bonds3

About 4-(3-azidoprop-1-enyl)-2,3-difluorophenol

4-(3-azidoprop-1-enyl)-2,3-difluorophenol (PubChem CID 169461687) has the molecular formula C9H7F2N3O and a molecular weight of 211.17 g/mol. Its IUPAC name is 4-(3-azidoprop-1-enyl)-2,3-difluorophenol.

Molecular Properties

Compound Name4-(3-azidoprop-1-enyl)-2,3-difluorophenol
PubChem CID169461687
Molecular FormulaC9H7F2N3O
Molecular Weight211.17 g/mol
Exact Mass211.06
IUPAC Name4-(3-azidoprop-1-enyl)-2,3-difluorophenol
SMILES[N-]=[N+]=NCC=Cc1ccc(O)c(F)c1F
InChIInChI=1S/C9H7F2N3O/c10-8-6(2-1-5-13-14-12)3-4-7(15)9(8)11/h1-4,15H,5H2
InChIKeyQEIUKTNTFSXGFY-UHFFFAOYSA-N
XLogP2.99
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.17
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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': 'quaternary_nitrogen_3', 'substructure': 'N/A'}

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Related Compounds

4-(3-azidoprop-1-enyl)naphthalen-1-ol
CID 169462413
4-amino-2-(3-azidoprop-1-enyl)phenol
CID 169461517
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
3-(4-azidobut-1-enyl)-2-fluorophenol
CID 170484869
2-(3-azidoprop-1-enyl)-5-chlorophenol
CID 169461367
3-(3-azidoprop-1-enyl)-4-hydroxybenzoic acid
CID 169462044
4-(4-aminobut-1-enyl)-2,3-difluorophenol
CID 170486884
3-(3-azidoprop-1-enyl)-4-fluoroaniline
CID 169461451
2-(3-azidoprop-1-enyl)-6-chloropyridin-3-ol
CID 169462758
2-(3-azidoprop-1-enyl)-6-methylphenol
CID 169461388
5-(3-azidoprop-1-enyl)-3-fluoro-2-hydroxybenzaldehyde
CID 169461964
1-(3-azidoprop-1-enyl)-4-fluoro-2-(trifluoromethyl)benzene
CID 169462199

Frequently Asked Questions

What is the IUPAC name of 4-(3-azidoprop-1-enyl)-2,3-difluorophenol?
The IUPAC name of 4-(3-azidoprop-1-enyl)-2,3-difluorophenol (CID 169461687) is 4-(3-azidoprop-1-enyl)-2,3-difluorophenol.
What is the SMILES notation for 4-(3-azidoprop-1-enyl)-2,3-difluorophenol?
The canonical SMILES for 4-(3-azidoprop-1-enyl)-2,3-difluorophenol is [N-]=[N+]=NCC=Cc1ccc(O)c(F)c1F.
What is the InChIKey of 4-(3-azidoprop-1-enyl)-2,3-difluorophenol?
The InChIKey is QEIUKTNTFSXGFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F2N3O/c10-8-6(2-1-5-13-14-12)3-4-7(15)9(8)11/h1-4,15H,5H2.
What are the key properties of 4-(3-azidoprop-1-enyl)-2,3-difluorophenol?
4-(3-azidoprop-1-enyl)-2,3-difluorophenol has a molecular weight of 211.17 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-azidoprop-1-enyl)-2,3-difluorophenol is sourced from PubChem (CID 169461687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).