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

C8H9F2NO — CID 121321798

IUPACN-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=C(F)C(F)=CC1
InChIInChI=1S/C8H9F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyQEEBOAIUYGBHRJ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.60
Rot. Bonds1

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

N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide (PubChem CID 121321798) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide
PubChem CID121321798
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide
SMILESCC(=O)NC1C=C(F)C(F)=CC1
InChIInChI=1S/C8H9F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h3-4,6H,2H2,1H3,(H,11,12)
InChIKeyQEEBOAIUYGBHRJ-UHFFFAOYSA-N
XLogP1.60
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 ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,2,2-trifluoro-N-[(4E)-hexa-1,4-dien-3-yl]acetamide
CID 10535774
2-ethyl-3,4-difluoro-2,5-dihydro-1H-pyridin-6-one
CID 57183765
2,3,4,6-tetrafluoro-4-methyl-N-(3-methylbutan-2-yl)cyclohexa-1,5-diene-1-carboxamide
CID 87633414
N-(3,5-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073531
N-(3,6-difluorocyclohexa-2,4-dien-1-yl)acetamide
CID 89073584
N-(4-chloro-3-fluorocyclohexa-2,4-dien-1-yl)-2,2,2-trifluoroacetamide
CID 123743141
2-amino-N-[4-(1,1-difluoroethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 126732342
N-[4-methyl-5-(trifluoromethyl)cyclohexa-2,4-dien-1-yl]acetamide
CID 135220345
N-[(5Z,7Z)-6-fluoronona-5,7-dien-4-yl]acetamide
CID 138564543
ethane;N-[(2S,3E,4Z)-3-ethylidene-6-methylhepta-4,6-dien-2-yl]-2,2,2-trifluoroacetamide
CID 142861213
N-[(2E,4E)-3,4-difluorohepta-2,4-dienyl]acetamide
CID 143094146
N-[(1R)-1-cyclohexa-1,5-dien-1-yl-2,2,2-trifluoroethyl]acetamide;ethane;molecular hydrogen
CID 145084236

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The IUPAC name of N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide (CID 121321798) is N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide.
What is the SMILES notation for N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The canonical SMILES for N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide is CC(=O)NC1C=C(F)C(F)=CC1.
What is the InChIKey of N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide?
The InChIKey is QEEBOAIUYGBHRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5(12)11-6-2-3-7(9)8(10)4-6/h3-4,6H,2H2,1H3,(H,11,12).
What are the key properties of N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide?
N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide has a molecular weight of 173.16 g/mol, XLogP of 1.60, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorocyclohexa-2,4-dien-1-yl)acetamide is sourced from PubChem (CID 121321798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).