2,2-difluoro-N-(3-methyloxan-4-yl)acetamide

C8H13F2NO2 — CID 130174524

IUPAC2,2-difluoro-N-(3-methyloxan-4-yl)acetamide
SMILESCC1COCCC1NC(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-13-3-2-6(5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyMYXDBHJHDSIGST-UHFFFAOYSA-N
MW193.19 g/mol
LogP0.79
Rot. Bonds2

About 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide

2,2-difluoro-N-(3-methyloxan-4-yl)acetamide (PubChem CID 130174524) has the molecular formula C8H13F2NO2 and a molecular weight of 193.19 g/mol. Its IUPAC name is 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(3-methyloxan-4-yl)acetamide
PubChem CID130174524
Molecular FormulaC8H13F2NO2
Molecular Weight193.19 g/mol
Exact Mass193.09
IUPAC Name2,2-difluoro-N-(3-methyloxan-4-yl)acetamide
SMILESCC1COCCC1NC(=O)C(F)F
InChIInChI=1S/C8H13F2NO2/c1-5-4-13-3-2-6(5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12)
InChIKeyMYXDBHJHDSIGST-UHFFFAOYSA-N
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.19
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide (CID 130174524) is 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide is CC1COCCC1NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide?
The InChIKey is MYXDBHJHDSIGST-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13F2NO2/c1-5-4-13-3-2-6(5)11-8(12)7(9)10/h5-7H,2-4H2,1H3,(H,11,12).
What are the key properties of 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide?
2,2-difluoro-N-(3-methyloxan-4-yl)acetamide has a molecular weight of 193.19 g/mol, XLogP of 0.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(3-methyloxan-4-yl)acetamide is sourced from PubChem (CID 130174524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).