N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide

C8H9F2NO — CID 142113001

IUPACN-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(F)CC(F)C=C1
InChIInChI=1S/C8H9F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeyXYZBYAZFYOKSLR-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.60
Rot. Bonds1

About N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide

N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide (PubChem CID 142113001) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide.

Molecular Properties

Compound NameN-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
PubChem CID142113001
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC NameN-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide
SMILESCC(=O)NC1=C(F)CC(F)C=C1
InChIInChI=1S/C8H9F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-3,6H,4H2,1H3,(H,11,12)
InChIKeyXYZBYAZFYOKSLR-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

N-acetylcyclohexadienylamine
CID 19382580
N-(1-cyclohexa-2,4-dien-1-ylideneethyl)-2,2,2-trifluoroacetamide
CID 54172936
6-(2-Fluoropropan-2-yl)pyridin-2-ol
CID 59928343
5-ethyl-6-(trifluoromethyl)-1H-pyridin-2-one
CID 68204646
N-(3-fluorocyclohexa-1,5-dien-1-yl)acetamide
CID 89363295
4-(1,1-difluoropropyl)-6-methyl-1H-pyridin-2-one
CID 121440112
N-(3-fluorohepta-1,3,5-trien-4-yl)acetamide
CID 123770747
N-(6-fluoro-2-prop-1-en-2-ylcyclohexa-1,3-dien-1-yl)acetamide
CID 123819181
N-(3,5-difluorohepta-1,3,5-trien-4-yl)acetamide
CID 123945729
N-[(3E)-2-fluoro-5-methylhexa-1,3,5-trien-3-yl]acetamide
CID 135220129
2,2,2-trifluoro-N-[(3E,5E)-6-methylocta-3,5-dien-4-yl]acetamide
CID 138502475
N-(2,5-difluorocyclohepta-1,4,6-trien-1-yl)acetamide
CID 142035875

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide?
The IUPAC name of N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide (CID 142113001) is N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide.
What is the SMILES notation for N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide?
The canonical SMILES for N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide is CC(=O)NC1=C(F)CC(F)C=C1.
What is the InChIKey of N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide?
The InChIKey is XYZBYAZFYOKSLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-5(12)11-8-3-2-6(9)4-7(8)10/h2-3,6H,4H2,1H3,(H,11,12).
What are the key properties of N-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide?
N-(2,4-difluorocyclohexa-1,5-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-(2,4-difluorocyclohexa-1,5-dien-1-yl)acetamide is sourced from PubChem (CID 142113001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).