[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol

C10H10FN3O — CID 169461646

IUPAC[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
SMILES[N-]=[N+]=NCC=Cc1cccc(CO)c1F
InChIInChI=1S/C10H10FN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,15H,6-7H2
InChIKeyDKAMRDWIHUVOAO-UHFFFAOYSA-N
MW207.21 g/mol
LogP2.64
Rot. Bonds4

About [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol

[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol (PubChem CID 169461646) has the molecular formula C10H10FN3O and a molecular weight of 207.21 g/mol. Its IUPAC name is [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol.

Molecular Properties

Compound Name[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
PubChem CID169461646
Molecular FormulaC10H10FN3O
Molecular Weight207.21 g/mol
Exact Mass207.08
IUPAC Name[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol
SMILES[N-]=[N+]=NCC=Cc1cccc(CO)c1F
InChIInChI=1S/C10H10FN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,15H,6-7H2
InChIKeyDKAMRDWIHUVOAO-UHFFFAOYSA-N
XLogP2.64
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 ≤ 52.64
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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Frequently Asked Questions

What is the IUPAC name of [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol?
The IUPAC name of [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol (CID 169461646) is [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol.
What is the SMILES notation for [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol?
The canonical SMILES for [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol is [N-]=[N+]=NCC=Cc1cccc(CO)c1F.
What is the InChIKey of [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol?
The InChIKey is DKAMRDWIHUVOAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10FN3O/c11-10-8(5-2-6-13-14-12)3-1-4-9(10)7-15/h1-5,15H,6-7H2.
What are the key properties of [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol?
[3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol has a molecular weight of 207.21 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-azidoprop-1-enyl)-2-fluorophenyl]methanol is sourced from PubChem (CID 169461646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).