N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide

C11H18FNO6 — CID 123573072

IUPACN-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide
SMILESCOC1OC2C(F)(CO)OC(N(C)C(C)=O)C2(C)O1
InChIInChI=1S/C11H18FNO6/c1-6(15)13(3)8-10(2)7(11(12,5-14)18-8)17-9(16-4)19-10/h7-9,14H,5H2,1-4H3
InChIKeyHOQOOCCHYHJADC-UHFFFAOYSA-N
MW279.26 g/mol
LogP-0.42
Rot. Bonds3

About N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide

N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide (PubChem CID 123573072) has the molecular formula C11H18FNO6 and a molecular weight of 279.26 g/mol. Its IUPAC name is N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide.

Molecular Properties

Compound NameN-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide
PubChem CID123573072
Molecular FormulaC11H18FNO6
Molecular Weight279.26 g/mol
Exact Mass279.11
IUPAC NameN-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide
SMILESCOC1OC2C(F)(CO)OC(N(C)C(C)=O)C2(C)O1
InChIInChI=1S/C11H18FNO6/c1-6(15)13(3)8-10(2)7(11(12,5-14)18-8)17-9(16-4)19-10/h7-9,14H,5H2,1-4H3
InChIKeyHOQOOCCHYHJADC-UHFFFAOYSA-N
XLogP-0.42
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 5-0.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-[[(3aR,5R,6R,6aR)-6-hydroxy-5-(hydroxymethyl)-2,2-dimethyl-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxol-5-yl]methyl]piperazin-1-yl]-2,2,2-trifluoroethanone
CID 11485923
3-[3-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2-fluoro-1,3-dihydroxy-2-methylpropyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 123225469
N-[5-fluoro-3-[hydroxy(methoxy)methoxy]-5-(hydroxymethyl)-3-methyloxolan-2-yl]-N-methylacetamide
CID 123381059
N,N-bis[[(2R,3S,4R,5R)-3,4-dihydroxy-5-methoxyoxolan-2-yl]methyl]acetamide
CID 71661999
1-[(1R,2R,6R,7R)-1-(hydroxymethyl)-4,4-dimethyl-3,5,11-trioxa-9-azatricyclo[5.3.1.02,6]undecan-9-yl]ethanone
CID 102079197
4H-1,3-Dioxolo[4,5-b]pyrrole-5-methanol, 4-acetyltetrahydro-6-hydroxy-2,2-dimethyl-, [3aR-(3a|A,5|A,6|A,6a|A)]-
CID 175677215

Frequently Asked Questions

What is the IUPAC name of N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide?
The IUPAC name of N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide (CID 123573072) is N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide.
What is the SMILES notation for N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide?
The canonical SMILES for N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide is COC1OC2C(F)(CO)OC(N(C)C(C)=O)C2(C)O1.
What is the InChIKey of N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide?
The InChIKey is HOQOOCCHYHJADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18FNO6/c1-6(15)13(3)8-10(2)7(11(12,5-14)18-8)17-9(16-4)19-10/h7-9,14H,5H2,1-4H3.
What are the key properties of N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide?
N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide has a molecular weight of 279.26 g/mol, XLogP of -0.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-fluoro-6-(hydroxymethyl)-2-methoxy-3a-methyl-4,6a-dihydrofuro[3,4-d][1,3]dioxol-4-yl]-N-methylacetamide is sourced from PubChem (CID 123573072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).