1-fluorocyclohexa-2,4-diene-1-carboximidamide

C7H9FN2 — CID 173071023

IUPAC1-fluorocyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)C=CC=CC1
InChIInChI=1S/C7H9FN2/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H3,9,10)
InChIKeyOFPREAKROIQLSJ-UHFFFAOYSA-N
MW140.16 g/mol
LogP1.15
Rot. Bonds1

About 1-fluorocyclohexa-2,4-diene-1-carboximidamide

1-fluorocyclohexa-2,4-diene-1-carboximidamide (PubChem CID 173071023) has the molecular formula C7H9FN2 and a molecular weight of 140.16 g/mol. Its IUPAC name is 1-fluorocyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name1-fluorocyclohexa-2,4-diene-1-carboximidamide
PubChem CID173071023
Molecular FormulaC7H9FN2
Molecular Weight140.16 g/mol
Exact Mass140.07
IUPAC Name1-fluorocyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)C=CC=CC1
InChIInChI=1S/C7H9FN2/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H3,9,10)
InChIKeyOFPREAKROIQLSJ-UHFFFAOYSA-N
XLogP1.15
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.16
LogP ≤ 51.15
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 1-fluorocyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 1-fluorocyclohexa-2,4-diene-1-carboximidamide (CID 173071023) is 1-fluorocyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 1-fluorocyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 1-fluorocyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(F)C=CC=CC1.
What is the InChIKey of 1-fluorocyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is OFPREAKROIQLSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9FN2/c8-7(6(9)10)4-2-1-3-5-7/h1-4H,5H2,(H3,9,10).
What are the key properties of 1-fluorocyclohexa-2,4-diene-1-carboximidamide?
1-fluorocyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 140.16 g/mol, XLogP of 1.15, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluorocyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 173071023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).