5-amino-2-(aminomethyl)-4-fluorooxan-3-ol

C6H13FN2O2 — CID 142537523

IUPAC5-amino-2-(aminomethyl)-4-fluorooxan-3-ol
SMILESNCC1OCC(N)C(F)C1O
InChIInChI=1S/C6H13FN2O2/c7-5-3(9)2-11-4(1-8)6(5)10/h3-6,10H,1-2,8-9H2
InChIKeyDXPIIFLNGXWJNF-UHFFFAOYSA-N
MW164.18 g/mol
LogP-1.63
Rot. Bonds1

About 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol

5-amino-2-(aminomethyl)-4-fluorooxan-3-ol (PubChem CID 142537523) has the molecular formula C6H13FN2O2 and a molecular weight of 164.18 g/mol. Its IUPAC name is 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol.

Molecular Properties

Compound Name5-amino-2-(aminomethyl)-4-fluorooxan-3-ol
PubChem CID142537523
Molecular FormulaC6H13FN2O2
Molecular Weight164.18 g/mol
Exact Mass164.10
IUPAC Name5-amino-2-(aminomethyl)-4-fluorooxan-3-ol
SMILESNCC1OCC(N)C(F)C1O
InChIInChI=1S/C6H13FN2O2/c7-5-3(9)2-11-4(1-8)6(5)10/h3-6,10H,1-2,8-9H2
InChIKeyDXPIIFLNGXWJNF-UHFFFAOYSA-N
XLogP-1.63
TPSA81.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.18
LogP ≤ 5-1.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol?
The IUPAC name of 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol (CID 142537523) is 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol.
What is the SMILES notation for 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol?
The canonical SMILES for 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol is NCC1OCC(N)C(F)C1O.
What is the InChIKey of 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol?
The InChIKey is DXPIIFLNGXWJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13FN2O2/c7-5-3(9)2-11-4(1-8)6(5)10/h3-6,10H,1-2,8-9H2.
What are the key properties of 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol?
5-amino-2-(aminomethyl)-4-fluorooxan-3-ol has a molecular weight of 164.18 g/mol, XLogP of -1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(aminomethyl)-4-fluorooxan-3-ol is sourced from PubChem (CID 142537523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).