(3-azido-4-fluorooxan-2-yl)methanol

C6H10FN3O2 — CID 130004697

IUPAC(3-azido-4-fluorooxan-2-yl)methanol
SMILES[N-]=[N+]=NC1C(F)CCOC1CO
InChIInChI=1S/C6H10FN3O2/c7-4-1-2-12-5(3-11)6(4)9-10-8/h4-6,11H,1-3H2
InChIKeyKHBQYGRCBVANBQ-UHFFFAOYSA-N
MW175.16 g/mol
LogP0.78
Rot. Bonds2

About (3-azido-4-fluorooxan-2-yl)methanol

(3-azido-4-fluorooxan-2-yl)methanol (PubChem CID 130004697) has the molecular formula C6H10FN3O2 and a molecular weight of 175.16 g/mol. Its IUPAC name is (3-azido-4-fluorooxan-2-yl)methanol.

Molecular Properties

Compound Name(3-azido-4-fluorooxan-2-yl)methanol
PubChem CID130004697
Molecular FormulaC6H10FN3O2
Molecular Weight175.16 g/mol
Exact Mass175.08
IUPAC Name(3-azido-4-fluorooxan-2-yl)methanol
SMILES[N-]=[N+]=NC1C(F)CCOC1CO
InChIInChI=1S/C6H10FN3O2/c7-4-1-2-12-5(3-11)6(4)9-10-8/h4-6,11H,1-3H2
InChIKeyKHBQYGRCBVANBQ-UHFFFAOYSA-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 (3-azido-4-fluorooxan-2-yl)methanol?
The IUPAC name of (3-azido-4-fluorooxan-2-yl)methanol (CID 130004697) is (3-azido-4-fluorooxan-2-yl)methanol.
What is the SMILES notation for (3-azido-4-fluorooxan-2-yl)methanol?
The canonical SMILES for (3-azido-4-fluorooxan-2-yl)methanol is [N-]=[N+]=NC1C(F)CCOC1CO.
What is the InChIKey of (3-azido-4-fluorooxan-2-yl)methanol?
The InChIKey is KHBQYGRCBVANBQ-UHFFFAOYSA-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.
What are the key properties of (3-azido-4-fluorooxan-2-yl)methanol?
(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 (3-azido-4-fluorooxan-2-yl)methanol is sourced from PubChem (CID 130004697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).