4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide

C10H13FN2 — CID 170147171

IUPAC4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC=C(C=C)C(C)=C1F
InChIInChI=1S/C10H13FN2/c1-3-7-4-5-8(10(12)13)9(11)6(7)2/h3-4,8H,1,5H2,2H3,(H3,12,13)
InChIKeyWSCASVFZRFOIAF-UHFFFAOYSA-N
MW180.23 g/mol
LogP2.30
Rot. Bonds2

About 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide

4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide (PubChem CID 170147171) has the molecular formula C10H13FN2 and a molecular weight of 180.23 g/mol. Its IUPAC name is 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide.

Molecular Properties

Compound Name4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
PubChem CID170147171
Molecular FormulaC10H13FN2
Molecular Weight180.23 g/mol
Exact Mass180.11
IUPAC Name4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1CC=C(C=C)C(C)=C1F
InChIInChI=1S/C10H13FN2/c1-3-7-4-5-8(10(12)13)9(11)6(7)2/h3-4,8H,1,5H2,2H3,(H3,12,13)
InChIKeyWSCASVFZRFOIAF-UHFFFAOYSA-N
XLogP2.30
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.23
LogP ≤ 52.30
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'}

Analyze 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide?
The IUPAC name of 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide (CID 170147171) is 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide.
What is the SMILES notation for 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide?
The canonical SMILES for 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide is [H]/N=C(\N)C1CC=C(C=C)C(C)=C1F.
What is the InChIKey of 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide?
The InChIKey is WSCASVFZRFOIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13FN2/c1-3-7-4-5-8(10(12)13)9(11)6(7)2/h3-4,8H,1,5H2,2H3,(H3,12,13).
What are the key properties of 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide?
4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide has a molecular weight of 180.23 g/mol, XLogP of 2.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2-fluoro-3-methylcyclohexa-2,4-diene-1-carboximidamide is sourced from PubChem (CID 170147171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).