[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol

C6H10FN3O2 — CID 130763685

IUPAC[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol
SMILES[N-]=[N+]=N[C@@H]1[C@H](F)CCO[C@@H]1CO
InChIInChI=1S/C6H10FN3O2/c7-4-1-2-12-5(3-11)6(4)9-10-8/h4-6,11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyKHBQYGRCBVANBQ-HSUXUTPPSA-N
MW175.16 g/mol
LogP0.78
Rot. Bonds2

About [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol

[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol (PubChem CID 130763685) has the molecular formula C6H10FN3O2 and a molecular weight of 175.16 g/mol. Its IUPAC name is [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol
PubChem CID130763685
Molecular FormulaC6H10FN3O2
Molecular Weight175.16 g/mol
Exact Mass175.08
IUPAC Name[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol
SMILES[N-]=[N+]=N[C@@H]1[C@H](F)CCO[C@@H]1CO
InChIInChI=1S/C6H10FN3O2/c7-4-1-2-12-5(3-11)6(4)9-10-8/h4-6,11H,1-3H2/t4-,5-,6-/m1/s1
InChIKeyKHBQYGRCBVANBQ-HSUXUTPPSA-N
XLogP0.78
TPSA78.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.16
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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 [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol?
The IUPAC name of [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol (CID 130763685) is [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol.
What is the SMILES notation for [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol?
The canonical SMILES for [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol is [N-]=[N+]=N[C@@H]1[C@H](F)CCO[C@@H]1CO.
What is the InChIKey of [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol?
The InChIKey is KHBQYGRCBVANBQ-HSUXUTPPSA-N. The full InChI is InChI=1S/C6H10FN3O2/c7-4-1-2-12-5(3-11)6(4)9-10-8/h4-6,11H,1-3H2/t4-,5-,6-/m1/s1.
What are the key properties of [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol?
[(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol has a molecular weight of 175.16 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S,4R)-3-azido-4-fluorooxan-2-yl]methanol is sourced from PubChem (CID 130763685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).