3-(4-azidobut-1-enyl)-2-fluorophenol

C10H10FN3O — CID 170484869

IUPAC3-(4-azidobut-1-enyl)-2-fluorophenol
SMILES[N-]=[N+]=NCCC=Cc1cccc(O)c1F
InChIInChI=1S/C10H10FN3O/c11-10-8(5-3-6-9(10)15)4-1-2-7-13-14-12/h1,3-6,15H,2,7H2
InChIKeyDTKCBXFHQRPFKE-UHFFFAOYSA-N
MW207.21 g/mol
LogP3.24
Rot. Bonds4

About 3-(4-azidobut-1-enyl)-2-fluorophenol

3-(4-azidobut-1-enyl)-2-fluorophenol (PubChem CID 170484869) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is 3-(4-azidobut-1-enyl)-2-fluorophenol.

Molecular Properties

Compound Name3-(4-azidobut-1-enyl)-2-fluorophenol
PubChem CID170484869
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name3-(4-azidobut-1-enyl)-2-fluorophenol
SMILES[N-]=[N+]=NCCC=Cc1cccc(O)c1F
InChIInChI=1S/C10H10FN3O/c11-10-8(5-3-6-9(10)15)4-1-2-7-13-14-12/h1,3-6,15H,2,7H2
InChIKeyDTKCBXFHQRPFKE-UHFFFAOYSA-N
XLogP3.24
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.21
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', '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)-2,3-difluorophenol
CID 169461687
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
CID 169461646
2-fluoro-3-[4-(methylamino)but-1-enyl]phenol
CID 170495366
1-azido-2-[(E)-4-azidobut-1-enyl]benzene
CID 165349366
3-[2-(4-azidobut-1-enyl)phenyl]propanoic acid
CID 170485805
2-[2-(4-azidobut-1-enyl)-5-fluorophenyl]acetic acid
CID 170485784
N-[2-(4-azidobut-1-enyl)phenyl]acetamide
CID 170485725
2-(4-azidobut-1-enyl)-5-methoxyphenol
CID 170485115
4-(4-azidobut-1-enyl)-3-fluorobenzenesulfonamide
CID 170485921
2-(4-azidobut-1-enyl)-3-chlorobenzaldehyde
CID 170485154
1-[3-(4-azidobut-1-enyl)phenyl]ethanone
CID 170485174
4-(4-azidobut-1-enyl)-2-hydroxybenzaldehyde
CID 170485123

Frequently Asked Questions

What is the IUPAC name of 3-(4-azidobut-1-enyl)-2-fluorophenol?
The IUPAC name of 3-(4-azidobut-1-enyl)-2-fluorophenol (CID 170484869) is 3-(4-azidobut-1-enyl)-2-fluorophenol.
What is the SMILES notation for 3-(4-azidobut-1-enyl)-2-fluorophenol?
The canonical SMILES for 3-(4-azidobut-1-enyl)-2-fluorophenol is [N-]=[N+]=NCCC=Cc1cccc(O)c1F.
What is the InChIKey of 3-(4-azidobut-1-enyl)-2-fluorophenol?
The InChIKey is DTKCBXFHQRPFKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-10-8(5-3-6-9(10)15)4-1-2-7-13-14-12/h1,3-6,15H,2,7H2.
What are the key properties of 3-(4-azidobut-1-enyl)-2-fluorophenol?
3-(4-azidobut-1-enyl)-2-fluorophenol has a molecular weight of 207.21 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-azidobut-1-enyl)-2-fluorophenol is sourced from PubChem (CID 170484869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).