2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide

C13H20F2N2 — CID 69107459

IUPAC2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(F)=CC=C(C(C)C)C1(F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-7(2)9-5-6-10(14)11(12(16)17)13(9,15)8(3)4/h5-8,11H,1-4H3,(H3,16,17)
InChIKeyKAEDYHJAFHWMFL-UHFFFAOYSA-N
MW242.31 g/mol
LogP3.35
Rot. Bonds3

About 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide

2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide (PubChem CID 69107459) has the molecular formula C13H20F2N2 and a molecular weight of 242.31 g/mol. Its IUPAC name is 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
PubChem CID69107459
Molecular FormulaC13H20F2N2
Molecular Weight242.31 g/mol
Exact Mass242.16
IUPAC Name2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(F)=CC=C(C(C)C)C1(F)C(C)C
InChIInChI=1S/C13H20F2N2/c1-7(2)9-5-6-10(14)11(12(16)17)13(9,15)8(3)4/h5-8,11H,1-4H3,(H3,16,17)
InChIKeyKAEDYHJAFHWMFL-UHFFFAOYSA-N
XLogP3.35
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide (CID 69107459) is 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1C(F)=CC=C(C(C)C)C1(F)C(C)C.
What is the InChIKey of 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is KAEDYHJAFHWMFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F2N2/c1-7(2)9-5-6-10(14)11(12(16)17)13(9,15)8(3)4/h5-8,11H,1-4H3,(H3,16,17).
What are the key properties of 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide?
2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 242.31 g/mol, XLogP of 3.35, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-5,6-di(propan-2-yl)cyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 69107459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).