N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide

C11H20FNO6 — CID 123381059

IUPACN-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide
SMILESCOC(O)OC1(C)CC(F)(CO)OC1N(C)C(C)=O
InChIInChI=1S/C11H20FNO6/c1-7(15)13(3)8-10(2,19-9(16)17-4)5-11(12,6-14)18-8/h8-9,14,16H,5-6H2,1-4H3
InChIKeyKRSLBJWRFRTCBG-UHFFFAOYSA-N
MW281.28 g/mol
LogP-0.43
Rot. Bonds5

About N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide

N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide (PubChem CID 123381059) has the molecular formula C11H20FNO6 and a molecular weight of 281.28 g/mol. Its IUPAC name is N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide
PubChem CID123381059
Molecular FormulaC11H20FNO6
Molecular Weight281.28 g/mol
Exact Mass281.13
IUPAC NameN-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide
SMILESCOC(O)OC1(C)CC(F)(CO)OC1N(C)C(C)=O
InChIInChI=1S/C11H20FNO6/c1-7(15)13(3)8-10(2,19-9(16)17-4)5-11(12,6-14)18-8/h8-9,14,16H,5-6H2,1-4H3
InChIKeyKRSLBJWRFRTCBG-UHFFFAOYSA-N
XLogP-0.43
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 5-0.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide?
The IUPAC name of N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide (CID 123381059) is N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide.
What is the SMILES notation for N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide?
The canonical SMILES for N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide is COC(O)OC1(C)CC(F)(CO)OC1N(C)C(C)=O.
What is the InChIKey of N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide?
The InChIKey is KRSLBJWRFRTCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20FNO6/c1-7(15)13(3)8-10(2,19-9(16)17-4)5-11(12,6-14)18-8/h8-9,14,16H,5-6H2,1-4H3.
What are the key properties of N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide?
N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide has a molecular weight of 281.28 g/mol, XLogP of -0.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide is sourced from PubChem (CID 123381059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).