N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide

C7H12FNO4 — CID 122207300

IUPACN-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H](F)CO[C@H]1O
InChIInChI=1S/C7H12FNO4/c1-3(10)9-5-6(11)4(8)2-13-7(5)12/h4-7,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-/m1/s1
InChIKeyFXZABAAEKMUYIW-JRTVQGFMSA-N
MW193.17 g/mol
LogP-1.46
Rot. Bonds1

About N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide

N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide (PubChem CID 122207300) has the molecular formula C7H12FNO4 and a molecular weight of 193.17 g/mol. Its IUPAC name is N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
PubChem CID122207300
Molecular FormulaC7H12FNO4
Molecular Weight193.17 g/mol
Exact Mass193.08
IUPAC NameN-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide
SMILESCC(=O)N[C@H]1[C@@H](O)[C@H](F)CO[C@H]1O
InChIInChI=1S/C7H12FNO4/c1-3(10)9-5-6(11)4(8)2-13-7(5)12/h4-7,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-/m1/s1
InChIKeyFXZABAAEKMUYIW-JRTVQGFMSA-N
XLogP-1.46
TPSA78.79 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 5-1.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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-[(1S,2S,3S,4R,5R)-4-fluoro-3-hydroxy-6,8-dioxabicyclo[3.2.1]octan-2-yl]acetamide
CID 131123221
N-[(3R,4R,5S,6R)-5-fluoro-2,4-dihydroxy-6-(hydroxymethyl)oxan-3-yl]acetamide
CID 10466144
N-[(2S,3S,4R,5R,6R)-2,4,5-trihydroxy-6-methyloxan-3-yl]acetamide
CID 156616201
N-[(2S,3R,4S,5R,6S)-5-acetamido-4,6-dihydroxy-2-methyloxan-3-yl]acetamide
CID 56927717
N-[(1R,2R,3S,4R,5R)-2,4-dihydroxy-6,8-dioxabicyclo[3.2.1]octan-3-yl]acetamide
CID 57197157
N-[(3R,3aS,5S,6S,6aS)-3,5-dihydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl]acetamide
CID 130787844
N-[(2R,3S,4R,5S,6S)-5-amino-2,4-dihydroxy-6-methyloxan-3-yl]acetamide
CID 91851645
N-[(2R,3S,4S,5R)-2,4-dihydroxy-5-(hydroxymethyl)oxolan-3-yl]acetamide
CID 131118562
N-[(1R,2S,4R,5S)-2,4-dimethoxy-6-oxabicyclo[3.1.0]hexan-3-yl]acetamide
CID 10821940
N-(3,4,5-trihydroxy-7-oxabicyclo[4.1.0]heptan-2-yl)acetamide
CID 130023825
N-[(2R,3R,4R,5R)-3,4,5-trihydroxyoxan-2-yl]acetamide
CID 102599934

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide?
The IUPAC name of N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide (CID 122207300) is N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide?
The canonical SMILES for N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide is CC(=O)N[C@H]1[C@@H](O)[C@H](F)CO[C@H]1O.
What is the InChIKey of N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide?
The InChIKey is FXZABAAEKMUYIW-JRTVQGFMSA-N. The full InChI is InChI=1S/C7H12FNO4/c1-3(10)9-5-6(11)4(8)2-13-7(5)12/h4-7,11-12H,2H2,1H3,(H,9,10)/t4-,5+,6+,7-/m1/s1.
What are the key properties of N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide?
N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide has a molecular weight of 193.17 g/mol, XLogP of -1.46, 1 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S,4R,5R)-5-fluoro-2,4-dihydroxyoxan-3-yl]acetamide is sourced from PubChem (CID 122207300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).