4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide

C17H24F2N2 — CID 167149117

IUPAC4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide
SMILESC=C(N/C(=N\C)C1CCC(F)(F)CC1)C1C=CC(C)=CC1
InChIInChI=1S/C17H24F2N2/c1-12-4-6-14(7-5-12)13(2)21-16(20-3)15-8-10-17(18,19)11-9-15/h4-6,14-15H,2,7-11H2,1,3H3,(H,20,21)
InChIKeyOMUOIZPSOKERDC-UHFFFAOYSA-N
MW294.39 g/mol
LogP4.47
Rot. Bonds3

About 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide

4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide (PubChem CID 167149117) has the molecular formula C17H24F2N2 and a molecular weight of 294.39 g/mol. Its IUPAC name is 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide
PubChem CID167149117
Molecular FormulaC17H24F2N2
Molecular Weight294.39 g/mol
Exact Mass294.19
IUPAC Name4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide
SMILESC=C(N/C(=N\C)C1CCC(F)(F)CC1)C1C=CC(C)=CC1
InChIInChI=1S/C17H24F2N2/c1-12-4-6-14(7-5-12)13(2)21-16(20-3)15-8-10-17(18,19)11-9-15/h4-6,14-15H,2,7-11H2,1,3H3,(H,20,21)
InChIKeyOMUOIZPSOKERDC-UHFFFAOYSA-N
XLogP4.47
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 54.47
H-Bond Donors ≤ 51
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 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide?
The IUPAC name of 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide (CID 167149117) is 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide.
What is the SMILES notation for 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide?
The canonical SMILES for 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide is C=C(N/C(=N\C)C1CCC(F)(F)CC1)C1C=CC(C)=CC1.
What is the InChIKey of 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide?
The InChIKey is OMUOIZPSOKERDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24F2N2/c1-12-4-6-14(7-5-12)13(2)21-16(20-3)15-8-10-17(18,19)11-9-15/h4-6,14-15H,2,7-11H2,1,3H3,(H,20,21).
What are the key properties of 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide?
4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide has a molecular weight of 294.39 g/mol, XLogP of 4.47, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-N'-methyl-N-[1-(4-methylcyclohexa-2,4-dien-1-yl)ethenyl]cyclohexane-1-carboximidamide is sourced from PubChem (CID 167149117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).