2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide

C8H13F2NO2 — CID 103515397

IUPAC2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)F)C1CCOCC1
InChIInChI=1S/C8H13F2NO2/c1-11(8(12)7(9)10)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3
InChIKeyYUURTQLMHOASOA-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.89
Rot. Bonds2

About 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide

2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide (PubChem CID 103515397) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide
PubChem CID103515397
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide
SMILESCN(C(=O)C(F)F)C1CCOCC1
InChIInChI=1S/C8H13F2NO2/c1-11(8(12)7(9)10)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3
InChIKeyYUURTQLMHOASOA-UHFFFAOYSA-N
XLogP0.89
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide (CID 103515397) is 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide is CN(C(=O)C(F)F)C1CCOCC1.
What is the InChIKey of 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide?
The InChIKey is YUURTQLMHOASOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-11(8(12)7(9)10)6-2-4-13-5-3-6/h6-7H,2-5H2,1H3.
What are the key properties of 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide?
2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide has a molecular weight of 193.19 g/mol, XLogP of 0.89, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 103515397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).