[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate

C7H12FNO4 — CID 139575362

IUPAC[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate
SMILESNCC1OC(O)CC(F)C1OC=O
InChIInChI=1S/C7H12FNO4/c8-4-1-6(11)13-5(2-9)7(4)12-3-10/h3-7,11H,1-2,9H2
InChIKeyXVGYXUQDDCBORI-UHFFFAOYSA-N
MW193.17 g/mol
LogP-1.07
Rot. Bonds3

About [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate

[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate (PubChem CID 139575362) has the molecular formula C7H12FNO4 and a molecular weight of 193.17 g/mol. Its IUPAC name is [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate.

Molecular Properties

Compound Name[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate
PubChem CID139575362
Molecular FormulaC7H12FNO4
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC Name[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate
SMILESNCC1OC(O)CC(F)C1OC=O
InChIInChI=1S/C7H12FNO4/c8-4-1-6(11)13-5(2-9)7(4)12-3-10/h3-7,11H,1-2,9H2
InChIKeyXVGYXUQDDCBORI-UHFFFAOYSA-N
XLogP-1.07
TPSA81.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate?
The IUPAC name of [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate (CID 139575362) is [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate.
What is the SMILES notation for [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate?
The canonical SMILES for [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate is NCC1OC(O)CC(F)C1OC=O.
What is the InChIKey of [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate?
The InChIKey is XVGYXUQDDCBORI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12FNO4/c8-4-1-6(11)13-5(2-9)7(4)12-3-10/h3-7,11H,1-2,9H2.
What are the key properties of [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate?
[2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate has a molecular weight of 193.17 g/mol, XLogP of -1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(aminomethyl)-4-fluoro-6-hydroxyoxan-3-yl] formate is sourced from PubChem (CID 139575362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).