N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

C8H9F2NO — CID 89073584

IUPACN-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=C(F)C=CC1F
InChIInChI=1S/C8H9F2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4,7-8H,1H3,(H,11,12)
InChIKeyWFAWXOKPIMCIFI-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.25
Rot. Bonds1

About N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide

N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 89073584) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
PubChem CID89073584
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=C(F)C=CC1F
InChIInChI=1S/C8H9F2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4,7-8H,1H3,(H,11,12)
InChIKeyWFAWXOKPIMCIFI-UHFFFAOYSA-N
XLogP1.25
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide (CID 89073584) is N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1C=C(F)C=CC1F.
What is the InChIKey of N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is WFAWXOKPIMCIFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5(12)11-8-4-6(9)2-3-7(8)10/h2-4,7-8H,1H3,(H,11,12).
What are the key properties of N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide?
N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 173.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 89073584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).