N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide

C9H15F2NO3 — CID 11775759

IUPACN-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide
SMILESCOC1CCC(NC(C)=O)C(C(F)F)O1
InChIInChI=1S/C9H15F2NO3/c1-5(13)12-6-3-4-7(14-2)15-8(6)9(10)11/h6-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyASBRKKXKTIMYAJ-UHFFFAOYSA-N
MW223.22 g/mol
LogP0.91
Rot. Bonds3

About N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide

N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide (PubChem CID 11775759) has the molecular formula C9H15F2NO3 and a molecular weight of 223.22 g/mol. Its IUPAC name is N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide.

Molecular Properties

Compound NameN-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide
PubChem CID11775759
Molecular FormulaC9H15F2NO3
Molecular Weight223.22 g/mol
Exact Mass223.10
IUPAC NameN-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide
SMILESCOC1CCC(NC(C)=O)C(C(F)F)O1
InChIInChI=1S/C9H15F2NO3/c1-5(13)12-6-3-4-7(14-2)15-8(6)9(10)11/h6-9H,3-4H2,1-2H3,(H,12,13)
InChIKeyASBRKKXKTIMYAJ-UHFFFAOYSA-N
XLogP0.91
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.22
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[(2S,3S,4R,5R,6R)-5-acetyloxy-6-methoxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 11132051
[(2R,3S,4S,5R,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
CID 156582325
F-FucNAc
CID 156582326
[(3S,4S,5S,6R)-3,5-diacetamido-4-fluoro-6-methyloxan-2-yl] acetate
CID 156582327
[(2S,3S,4R,5R,6S)-5,6-diacetyloxy-2-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-3-yl] acetate
CID 11760812
[(2S,4S,5S,6S)-5-acetyloxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] acetate
CID 14336156
(4S,5S,6S)-6-methyl-5-[(2,2,2-trifluoroacetyl)oxy]-4-(2,2,2-trifluoroacetamido)oxan-2-yl 2,2,2-trifluoroacetate
CID 134990994
1,3,4-Tri-O-acetyl-2-N-(trifluoroacetyl)-beta-L-fucose
CID 139086311
[5-Acetyloxy-6-methyl-4-[(2,2,2-trifluoroacetyl)amino]oxan-2-yl] acetate
CID 325717
Methyl 4-O-acetyl-2,6,-trideoxy-3-N-trifluoroacetamido-L-lyxo-hexopyranoside
CID 367307
N-[6-(fluoromethyl)-2,4,5-trimethoxyoxan-3-yl]acetamide
CID 552821
alpha-D-Glucopyranoside, methyl 2-(acetylamino)-2,6-dideoxy-6-fluoro-3,4-di-O-methyl-
CID 22214223

Frequently Asked Questions

What is the IUPAC name of N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide?
The IUPAC name of N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide (CID 11775759) is N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide.
What is the SMILES notation for N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide?
The canonical SMILES for N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide is COC1CCC(NC(C)=O)C(C(F)F)O1.
What is the InChIKey of N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide?
The InChIKey is ASBRKKXKTIMYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2NO3/c1-5(13)12-6-3-4-7(14-2)15-8(6)9(10)11/h6-9H,3-4H2,1-2H3,(H,12,13).
What are the key properties of N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide?
N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide has a molecular weight of 223.22 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide is sourced from PubChem (CID 11775759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).