1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide

C8H11FN2 — CID 173187431

IUPAC1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)C=CC=CC1C
InChIInChI=1S/C8H11FN2/c1-6-4-2-3-5-8(6,9)7(10)11/h2-6H,1H3,(H3,10,11)
InChIKeyMOVVKFZBOBHAOF-UHFFFAOYSA-N
MW154.19 g/mol
LogP1.39
Rot. Bonds1

About 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide

1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 173187431) has the molecular formula C8H11FN2 and a molecular weight of 154.19 g/mol. Its IUPAC name is 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID173187431
Molecular FormulaC8H11FN2
Molecular Weight154.19 g/mol
Exact Mass154.09
IUPAC Name1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1(F)C=CC=CC1C
InChIInChI=1S/C8H11FN2/c1-6-4-2-3-5-8(6,9)7(10)11/h2-6H,1H3,(H3,10,11)
InChIKeyMOVVKFZBOBHAOF-UHFFFAOYSA-N
XLogP1.39
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.19
LogP ≤ 51.39
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-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide (CID 173187431) is 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1(F)C=CC=CC1C.
What is the InChIKey of 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is MOVVKFZBOBHAOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2/c1-6-4-2-3-5-8(6,9)7(10)11/h2-6H,1H3,(H3,10,11).
What are the key properties of 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide?
1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 154.19 g/mol, XLogP of 1.39, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-6-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 173187431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).