2-azido-3-fluoropropan-1-ol

C3H6FN3O — CID 59511061

IUPAC2-azido-3-fluoropropan-1-ol
SMILES[N-]=[N+]=NC(CO)CF
InChIInChI=1S/C3H6FN3O/c4-1-3(2-8)6-7-5/h3,8H,1-2H2
InChIKeyGDPAFQRBCUSHJH-UHFFFAOYSA-N
MW119.10 g/mol
LogP0.63
Rot. Bonds3

About 2-azido-3-fluoropropan-1-ol

2-azido-3-fluoropropan-1-ol (PubChem CID 59511061) has the molecular formula C3H6FN3O and a molecular weight of 119.10 g/mol. Its IUPAC name is 2-azido-3-fluoropropan-1-ol.

Molecular Properties

Compound Name2-azido-3-fluoropropan-1-ol
PubChem CID59511061
Molecular FormulaC3H6FN3O
Molecular Weight119.10 g/mol
Exact Mass119.05
IUPAC Name2-azido-3-fluoropropan-1-ol
SMILES[N-]=[N+]=NC(CO)CF
InChIInChI=1S/C3H6FN3O/c4-1-3(2-8)6-7-5/h3,8H,1-2H2
InChIKeyGDPAFQRBCUSHJH-UHFFFAOYSA-N
XLogP0.63
TPSA68.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.10
LogP ≤ 50.63
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 2-azido-3-fluoropropan-1-ol?
The IUPAC name of 2-azido-3-fluoropropan-1-ol (CID 59511061) is 2-azido-3-fluoropropan-1-ol.
What is the SMILES notation for 2-azido-3-fluoropropan-1-ol?
The canonical SMILES for 2-azido-3-fluoropropan-1-ol is [N-]=[N+]=NC(CO)CF.
What is the InChIKey of 2-azido-3-fluoropropan-1-ol?
The InChIKey is GDPAFQRBCUSHJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6FN3O/c4-1-3(2-8)6-7-5/h3,8H,1-2H2.
What are the key properties of 2-azido-3-fluoropropan-1-ol?
2-azido-3-fluoropropan-1-ol has a molecular weight of 119.10 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azido-3-fluoropropan-1-ol is sourced from PubChem (CID 59511061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).