5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide

C11H15F2NO — CID 69287101

IUPAC5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=C(F)C1(F)CC
InChIInChI=1S/C11H15F2NO/c1-3-8-7(10(14)15)5-6-9(12)11(8,13)4-2/h5-6,8H,3-4H2,1-2H3,(H2,14,15)
InChIKeySZRVFLOHDNEBRE-UHFFFAOYSA-N
MW215.24 g/mol
LogP2.41
Rot. Bonds3

About 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide

5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide (PubChem CID 69287101) has the molecular formula C11H15F2NO and a molecular weight of 215.24 g/mol. Its IUPAC name is 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide.

Molecular Properties

Compound Name5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
PubChem CID69287101
Molecular FormulaC11H15F2NO
Molecular Weight215.24 g/mol
Exact Mass215.11
IUPAC Name5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide
SMILESCCC1C(C(N)=O)=CC=C(F)C1(F)CC
InChIInChI=1S/C11H15F2NO/c1-3-8-7(10(14)15)5-6-9(12)11(8,13)4-2/h5-6,8H,3-4H2,1-2H3,(H2,14,15)
InChIKeySZRVFLOHDNEBRE-UHFFFAOYSA-N
XLogP2.41
TPSA43.09 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The IUPAC name of 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide (CID 69287101) is 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide.
What is the SMILES notation for 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The canonical SMILES for 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide is CCC1C(C(N)=O)=CC=C(F)C1(F)CC.
What is the InChIKey of 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
The InChIKey is SZRVFLOHDNEBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F2NO/c1-3-8-7(10(14)15)5-6-9(12)11(8,13)4-2/h5-6,8H,3-4H2,1-2H3,(H2,14,15).
What are the key properties of 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide?
5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide has a molecular weight of 215.24 g/mol, XLogP of 2.41, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diethyl-4,5-difluorocyclohexa-1,3-diene-1-carboxamide is sourced from PubChem (CID 69287101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).