2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide

C10H16F3NO3 — CID 162546798

IUPAC2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide
SMILESCOC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyQJXGCPLXGGDPCQ-UHFFFAOYSA-N
MW255.24 g/mol
LogP1.45
Rot. Bonds2

About 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide

2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide (PubChem CID 162546798) has the molecular formula C10H16F3NO3 and a molecular weight of 255.24 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide
PubChem CID162546798
Molecular FormulaC10H16F3NO3
Molecular Weight255.24 g/mol
Exact Mass255.11
IUPAC Name2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide
SMILESCOC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1
InChIInChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15)
InChIKeyQJXGCPLXGGDPCQ-UHFFFAOYSA-N
XLogP1.45
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.24
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,2,2-trifluoro-N-[(2S,3R,4S,6S)-2,3,6-trimethyloxan-4-yl]acetamide
CID 60018446
methyl 2,3,6-trideoxy-4-C-methyl-4-O-methyl-3-trifluoroacetamido-alpha-L-lyxo-hexopyranoside
CID 86737719
methyl 2,3,6-trideoxy-4-C-methyl-3-trifluoroacetamido-alpha-L-lyxo hexopyranoside
CID 86737720
2,3,4,6-tetradeoxy-4-C-methyl-3-trifluoroacetamido-alpha-L-arabino-hexopyranose
CID 86738947
methyl 2,3,4,6-tetradeoxy-4-C-methyl-3-trifluoroacetamido-alpha-L-arabino-hexopyranoside
CID 86738948
2,2,2-trifluoro-N-[(2S,3R,4S,6R)-3-hydroxy-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
CID 88744942
N-[(2R,3R,4S,6S)-3,6-dimethoxy-2,3-dimethyloxan-4-yl]-2,2,2-trifluoroacetamide
CID 88745921
N-[8-[(2S,4S,5S)-6-ethyl-3,4,5-trimethyloxan-2-yl]oxyoctyl]-2,2,2-trifluoroacetamide
CID 90245360
2,2,2-trifluoro-N-[(2S,3R,4S)-6-methoxy-2,3-dimethyloxan-4-yl]acetamide
CID 145798352
N-[2-(difluoromethyl)-6-methoxyoxan-3-yl]acetamide
CID 11775759
2,2,2-trifluoro-N-(2,3,6-trimethyloxan-4-yl)acetamide
CID 20816369
2,2,2-trifluoro-N-(6-hydroxy-2,3-dimethyloxan-4-yl)acetamide
CID 141890985

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide?
The IUPAC name of 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide (CID 162546798) is 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide is COC1CC(NC(=O)C(F)(F)F)C(C)C(C)O1.
What is the InChIKey of 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide?
The InChIKey is QJXGCPLXGGDPCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F3NO3/c1-5-6(2)17-8(16-3)4-7(5)14-9(15)10(11,12)13/h5-8H,4H2,1-3H3,(H,14,15).
What are the key properties of 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide?
2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide has a molecular weight of 255.24 g/mol, XLogP of 1.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-(6-methoxy-2,3-dimethyloxan-4-yl)acetamide is sourced from PubChem (CID 162546798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).