2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

C8H9F2NO — CID 70416183

IUPAC2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESNC(=O)CC1C=CC=CC1(F)F
InChIInChI=1S/C8H9F2NO/c9-8(10)4-2-1-3-6(8)5-7(11)12/h1-4,6H,5H2,(H2,11,12)
InChIKeySCPZCQZIOPQHIG-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.24
Rot. Bonds2

About 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 70416183) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound Name2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
PubChem CID70416183
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESNC(=O)CC1C=CC=CC1(F)F
InChIInChI=1S/C8H9F2NO/c9-8(10)4-2-1-3-6(8)5-7(11)12/h1-4,6H,5H2,(H2,11,12)
InChIKeySCPZCQZIOPQHIG-UHFFFAOYSA-N
XLogP1.24
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
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-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (CID 70416183) is 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is NC(=O)CC1C=CC=CC1(F)F.
What is the InChIKey of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is SCPZCQZIOPQHIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c9-8(10)4-2-1-3-6(8)5-7(11)12/h1-4,6H,5H2,(H2,11,12).
What are the key properties of 2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
2-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 173.16 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-(6,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 70416183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).