N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide

C8H12FNO4 — CID 131123221

IUPACN-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C8H12FNO4/c1-3(11)10-6-4-2-13-8(14-4)5(9)7(6)12/h4-8,12H,2H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyHPYBZEBXQOOFKO-FMDGEEDCSA-N
MW205.18 g/mol
LogP-1.05
Rot. Bonds1

About N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide

N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide (PubChem CID 131123221) has the molecular formula C8H12FNO4 and a molecular weight of 205.18 g/mol. Its IUPAC name is N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide.

Molecular Properties

Compound NameN-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
PubChem CID131123221
Molecular FormulaC8H12FNO4
Molecular Weight205.18 g/mol
Exact Mass205.08
IUPAC NameN-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
SMILESCC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@H]2OC[C@H]1O2
InChIInChI=1S/C8H12FNO4/c1-3(11)10-6-4-2-13-8(14-4)5(9)7(6)12/h4-8,12H,2H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1
InChIKeyHPYBZEBXQOOFKO-FMDGEEDCSA-N
XLogP-1.05
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.18
LogP ≤ 5-1.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide with MolForge

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Related Compounds

N-[(1R,2S,3R,4R,5R)-2,3-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 14308166
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
N-[(1R,2S,3R,4S,5R)-2-ethoxy-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 102244861
(2R)-2-[[(1S,2R,3S,4S,5S)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanamide
CID 50930450
(2S)-2-[[(2R)-2-[[(1R,2S,3R,4R,5R)-4-acetamido-2-hydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]oxy]propanoyl]amino]propanoic acid
CID 146597148
N-[(1S,2R,3S,4R,5R)-3-hydroxy-2-[[(1S,4R,5S,6S)-4,5,6-trihydroxy-3-(hydroxymethyl)cyclohex-2-en-1-yl]amino]-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 10428580
N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
CID 122207300
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144
N-[2,3-bis(phenylmethoxy)-6,8-dioxabicyclo[3.2.1]octan-4-yl]acetamide
CID 135067404
1-[4-(4-acetylpiperazin-1-yl)-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]-3-cyclohexylurea
CID 74419405
N-[(1S,3S,4R,5S,7S,9R,10S,11R,13S,15R,16S,17S,18R,20R,23R,24S,25R,26R,28R,29S)-28,29-diacetamido-4,10,16,17,24,25-hexahydroxy-11,18-bis(hydroxymethyl)-5-methyl-2,6,8,12,14,19,21,27-octaoxapentacyclo[21.3.1.13,7.19,13.015,20]nonacosan-26-yl]acetamide
CID 156615758
1-ethyl-3-[(1S,2S,3S,4R,5R)-3-hydroxy-4-pyrrolidin-1-yl-6,8-dioxabicyclo[3.2.1]octan-2-yl]urea
CID 25338249

Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide?
The IUPAC name of N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide (CID 131123221) is N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide.
What is the SMILES notation for N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide?
The canonical SMILES for N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide is CC(=O)N[C@H]1[C@H](O)[C@@H](F)[C@@H]2OC[C@H]1O2.
What is the InChIKey of N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide?
The InChIKey is HPYBZEBXQOOFKO-FMDGEEDCSA-N. The full InChI is InChI=1S/C8H12FNO4/c1-3(11)10-6-4-2-13-8(14-4)5(9)7(6)12/h4-8,12H,2H2,1H3,(H,10,11)/t4-,5-,6-,7-,8-/m1/s1.
What are the key properties of N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide?
N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide has a molecular weight of 205.18 g/mol, XLogP of -1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide is sourced from PubChem (CID 131123221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).