2,6-difluorocyclohexa-2,5-diene-1-carboximidamide

C7H8F2N2 — CID 121304314

IUPAC2,6-difluorocyclohexa-2,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(F)=CCC=C1F
InChIInChI=1S/C7H8F2N2/c8-4-2-1-3-5(9)6(4)7(10)11/h2-3,6H,1H2,(H3,10,11)
InChIKeyVKEKHEURIUTEOM-UHFFFAOYSA-N
MW158.15 g/mol
LogP1.65
Rot. Bonds1

About 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide

2,6-difluorocyclohexa-2,5-diene-1-carboximidamide (PubChem CID 121304314) has the molecular formula C7H8F2N2 and a molecular weight of 158.15 g/mol. Its IUPAC name is 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide.

Molecular Properties

Compound Name2,6-difluorocyclohexa-2,5-diene-1-carboximidamide
PubChem CID121304314
Molecular FormulaC7H8F2N2
Molecular Weight158.15 g/mol
Exact Mass158.07
IUPAC Name2,6-difluorocyclohexa-2,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1C(F)=CCC=C1F
InChIInChI=1S/C7H8F2N2/c8-4-2-1-3-5(9)6(4)7(10)11/h2-3,6H,1H2,(H3,10,11)
InChIKeyVKEKHEURIUTEOM-UHFFFAOYSA-N
XLogP1.65
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.15
LogP ≤ 51.65
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-difluorocyclohexa-2,5-diene-1-carboximidamide?
The IUPAC name of 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide (CID 121304314) is 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide.
What is the SMILES notation for 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide?
The canonical SMILES for 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide is [H]/N=C(\N)C1C(F)=CCC=C1F.
What is the InChIKey of 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide?
The InChIKey is VKEKHEURIUTEOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F2N2/c8-4-2-1-3-5(9)6(4)7(10)11/h2-3,6H,1H2,(H3,10,11).
What are the key properties of 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide?
2,6-difluorocyclohexa-2,5-diene-1-carboximidamide has a molecular weight of 158.15 g/mol, XLogP of 1.65, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluorocyclohexa-2,5-diene-1-carboximidamide is sourced from PubChem (CID 121304314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).