2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

C9H7F5N2O3 — CID 153338992

IUPAC2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESNC(=O)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O3/c10-8(11,7(15)17)4-18-6-5(2-1-3-16-6)19-9(12,13)14/h1-3H,4H2,(H2,15,17)
InChIKeyZKEJICVLHUPXTD-UHFFFAOYSA-N
MW286.16 g/mol
LogP1.48
Rot. Bonds5

About 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide

2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (PubChem CID 153338992) has the molecular formula C9H7F5N2O3 and a molecular weight of 286.16 g/mol. Its IUPAC name is 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.

Molecular Properties

Compound Name2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
PubChem CID153338992
Molecular FormulaC9H7F5N2O3
Molecular Weight286.16 g/mol
Exact Mass286.04
IUPAC Name2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
SMILESNC(=O)C(F)(F)COc1ncccc1OC(F)(F)F
InChIInChI=1S/C9H7F5N2O3/c10-8(11,7(15)17)4-18-6-5(2-1-3-16-6)19-9(12,13)14/h1-3H,4H2,(H2,15,17)
InChIKeyZKEJICVLHUPXTD-UHFFFAOYSA-N
XLogP1.48
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.16
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402133
N-(1,3-dimethylpiperidin-4-yl)-2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402139
N-[(3S,4R)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4S)-1,4-dimethylpyrrolidin-3-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 159572753
N-[(3S,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3R,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384468
N-[(3R,4S)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide;N-[(3S,4R)-1,3-dimethylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 158384467
N-[(3R,4S)-3-ethyl-1-methylpiperidin-4-yl]-2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146402203
3-ethyl-2-(trifluoromethoxy)pyridine
CID 166104126
3-(trifluoromethoxy)pyridine-2-sulfonyl chloride
CID 130088894
2-[4-(trifluoromethoxy)phenoxy]pyridine-3-carboxamide
CID 69477182
2,2-dimethyl-N-(5-methyl-5-azaspiro[2.5]octan-8-yl)-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide
CID 146401964
[2-methyl-1-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propan-2-yl]urea
CID 75505421
tert-butyl (2S,4R)-4-[[2,2-dimethyl-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanoyl]amino]-2-methylpiperidine-1-carboxylate
CID 146402244

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The IUPAC name of 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide (CID 153338992) is 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide.
What is the SMILES notation for 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The canonical SMILES for 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is NC(=O)C(F)(F)COc1ncccc1OC(F)(F)F.
What is the InChIKey of 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
The InChIKey is ZKEJICVLHUPXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H7F5N2O3/c10-8(11,7(15)17)4-18-6-5(2-1-3-16-6)19-9(12,13)14/h1-3H,4H2,(H2,15,17).
What are the key properties of 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide?
2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide has a molecular weight of 286.16 g/mol, XLogP of 1.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-[[3-(trifluoromethoxy)-2-pyridinyl]oxy]propanamide is sourced from PubChem (CID 153338992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).