2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide

C7H11F2NO2 — CID 103515943

IUPAC2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1NC(=O)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-4-5(2-3-12-4)10-7(11)6(8)9/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyBXHZCYNFLKFYJZ-UHFFFAOYSA-N
MW179.17 g/mol
LogP0.55
Rot. Bonds2

About 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide

2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide (PubChem CID 103515943) has the molecular formula C7H11F2NO2 and a molecular weight of 179.17 g/mol. Its IUPAC name is 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide.

Molecular Properties

Compound Name2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide
PubChem CID103515943
Molecular FormulaC7H11F2NO2
Molecular Weight179.17 g/mol
Exact Mass179.08
IUPAC Name2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide
SMILESCC1OCCC1NC(=O)C(F)F
InChIInChI=1S/C7H11F2NO2/c1-4-5(2-3-12-4)10-7(11)6(8)9/h4-6H,2-3H2,1H3,(H,10,11)
InChIKeyBXHZCYNFLKFYJZ-UHFFFAOYSA-N
XLogP0.55
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.17
LogP ≤ 50.55
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-(2-methyloxolan-3-yl)acetamide?
The IUPAC name of 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide (CID 103515943) is 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide.
What is the SMILES notation for 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide?
The canonical SMILES for 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide is CC1OCCC1NC(=O)C(F)F.
What is the InChIKey of 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide?
The InChIKey is BXHZCYNFLKFYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11F2NO2/c1-4-5(2-3-12-4)10-7(11)6(8)9/h4-6H,2-3H2,1H3,(H,10,11).
What are the key properties of 2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide?
2,2-difluoro-N-(2-methyloxolan-3-yl)acetamide has a molecular weight of 179.17 g/mol, XLogP of 0.55, 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-(2-methyloxolan-3-yl)acetamide is sourced from PubChem (CID 103515943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).