[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate

C14H21F2NO6 — CID 166650062

IUPAC[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate
SMILESCCC1OC(C(F)F)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C14H21F2NO6/c1-5-9-10(17-6(2)18)11(21-7(3)19)12(22-8(4)20)13(23-9)14(15)16/h9-14H,5H2,1-4H3,(H,17,18)
InChIKeyTTWYVPAXMYFSHC-UHFFFAOYSA-N
MW337.32 g/mol
LogP0.80
Rot. Bonds5

About [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate

[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate (PubChem CID 166650062) has the molecular formula C14H21F2NO6 and a molecular weight of 337.32 g/mol. Its IUPAC name is [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate.

Molecular Properties

Compound Name[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate
PubChem CID166650062
Molecular FormulaC14H21F2NO6
Molecular Weight337.32 g/mol
Exact Mass337.13
IUPAC Name[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate
SMILESCCC1OC(C(F)F)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O
InChIInChI=1S/C14H21F2NO6/c1-5-9-10(17-6(2)18)11(21-7(3)19)12(22-8(4)20)13(23-9)14(15)16/h9-14H,5H2,1-4H3,(H,17,18)
InChIKeyTTWYVPAXMYFSHC-UHFFFAOYSA-N
XLogP0.80
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.32
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[(3S,4S)-5-acetamido-4-acetyloxy-2-ethyl-6-methyloxan-3-yl] acetate
CID 129087954
[(3S,6R)-3,5-diacetyloxy-2-(difluoromethyl)-6-hydroxyoxan-4-yl] acetate
CID 174144673
[(2S,3R,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
CID 98172577
[(2R,3S,4R,5R,6R)-5-acetamido-3,4-diacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
CID 11474711
[(2R,3R,4S,5S,6R)-5-acetamido-3,4-diacetyloxy-6-isothiocyanatooxan-2-yl]methyl acetate
CID 124525771
[(3S)-5-acetamido-2-ethyl-3-ethynylperoxy-6-methyloxan-4-yl] acetate
CID 59972998
[(3S,4R)-5-acetamido-4-acetyloxy-6-hydroxy-2-(hydroxymethyl)oxan-3-yl] acetate
CID 71312900
[(2R,3R,4R,5S,6S)-5-acetamido-3,4-diacetyloxy-6-(2-methylpropyl)oxan-2-yl]methyl acetate
CID 56968124
[5-acetamido-4-acetyloxy-6-amino-2-(hydroxymethyl)oxan-3-yl] acetate
CID 129227864
[(2R,3R,4S,5S)-4-acetyloxy-2,5-di(propan-2-yl)oxolan-3-yl] acetate
CID 164775782
[(3S,4R,6R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 24802160
[(2R,3S,4R,5R)-5-acetamido-3,4,6-triacetyloxyoxan-2-yl]methyl acetate
CID 2817447

Frequently Asked Questions

What is the IUPAC name of [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate?
The IUPAC name of [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate (CID 166650062) is [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate.
What is the SMILES notation for [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate?
The canonical SMILES for [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate is CCC1OC(C(F)F)C(OC(C)=O)C(OC(C)=O)C1NC(C)=O.
What is the InChIKey of [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate?
The InChIKey is TTWYVPAXMYFSHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2NO6/c1-5-9-10(17-6(2)18)11(21-7(3)19)12(22-8(4)20)13(23-9)14(15)16/h9-14H,5H2,1-4H3,(H,17,18).
What are the key properties of [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate?
[5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate has a molecular weight of 337.32 g/mol, XLogP of 0.80, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [5-acetamido-3-acetyloxy-2-(difluoromethyl)-6-ethyloxan-4-yl] acetate is sourced from PubChem (CID 166650062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).