2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide

C9H9F2NO — CID 162594105

IUPAC2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)C1=CC=CC2CC12
InChIInChI=1S/C9H9F2NO/c10-9(11,8(12)13)7-3-1-2-5-4-6(5)7/h1-3,5-6H,4H2,(H2,12,13)
InChIKeyQGVUNWJHQUGCIN-UHFFFAOYSA-N
MW185.17 g/mol
LogP1.24
Rot. Bonds2

About 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide

2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide (PubChem CID 162594105) has the molecular formula C9H9F2NO and a molecular weight of 185.17 g/mol. Its IUPAC name is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide.

Molecular Properties

Compound Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide
PubChem CID162594105
Molecular FormulaC9H9F2NO
Molecular Weight185.17 g/mol
Exact Mass185.07
IUPAC Name2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide
SMILESNC(=O)C(F)(F)C1=CC=CC2CC12
InChIInChI=1S/C9H9F2NO/c10-9(11,8(12)13)7-3-1-2-5-4-6(5)7/h1-3,5-6H,4H2,(H2,12,13)
InChIKeyQGVUNWJHQUGCIN-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.17
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide?
The IUPAC name of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide (CID 162594105) is 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide.
What is the SMILES notation for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide?
The canonical SMILES for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide is NC(=O)C(F)(F)C1=CC=CC2CC12.
What is the InChIKey of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide?
The InChIKey is QGVUNWJHQUGCIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9F2NO/c10-9(11,8(12)13)7-3-1-2-5-4-6(5)7/h1-3,5-6H,4H2,(H2,12,13).
What are the key properties of 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide?
2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide has a molecular weight of 185.17 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bicyclo[4.1.0]hepta-2,4-dienyl)-2,2-difluoroacetamide is sourced from PubChem (CID 162594105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).