3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide

C8H9F2NO — CID 129145005

IUPAC3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(F)=C(F)C=C1C(N)=O
InChIInChI=1S/C8H9F2NO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyBXRQWACUFINJOJ-UHFFFAOYSA-N
MW173.16 g/mol
LogP1.59
Rot. Bonds1

About 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide

3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide (PubChem CID 129145005) has the molecular formula C8H9F2NO and a molecular weight of 173.16 g/mol. Its IUPAC name is 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
PubChem CID129145005
Molecular FormulaC8H9F2NO
Molecular Weight173.16 g/mol
Exact Mass173.07
IUPAC Name3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide
SMILESCC1CC(F)=C(F)C=C1C(N)=O
InChIInChI=1S/C8H9F2NO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyBXRQWACUFINJOJ-UHFFFAOYSA-N
XLogP1.59
TPSA43.09 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 ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide (CID 129145005) is 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide is CC1CC(F)=C(F)C=C1C(N)=O.
What is the InChIKey of 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide?
The InChIKey is BXRQWACUFINJOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2NO/c1-4-2-6(9)7(10)3-5(4)8(11)12/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide?
3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide has a molecular weight of 173.16 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-6-methylcyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 129145005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).