4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide

C16H24F2N2 — CID 167148982

IUPAC4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide
SMILESC/N=C(\NCC1C=CC=C(C)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2/c1-12-4-3-5-13(10-12)11-20-15(19-2)14-6-8-16(17,18)9-7-14/h3-5,13-14H,6-11H2,1-2H3,(H,19,20)
InChIKeyMYJKJWXDFMAMCH-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.95
Rot. Bonds3

About 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide

4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide (PubChem CID 167148982) has the molecular formula C16H24F2N2 and a molecular weight of 282.38 g/mol. Its IUPAC name is 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide.

Molecular Properties

Compound Name4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide
PubChem CID167148982
Molecular FormulaC16H24F2N2
Molecular Weight282.38 g/mol
Exact Mass282.19
IUPAC Name4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide
SMILESC/N=C(\NCC1C=CC=C(C)C1)C1CCC(F)(F)CC1
InChIInChI=1S/C16H24F2N2/c1-12-4-3-5-13(10-12)11-20-15(19-2)14-6-8-16(17,18)9-7-14/h3-5,13-14H,6-11H2,1-2H3,(H,19,20)
InChIKeyMYJKJWXDFMAMCH-UHFFFAOYSA-N
XLogP3.95
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.95
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-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide?
The IUPAC name of 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide (CID 167148982) is 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide.
What is the SMILES notation for 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide?
The canonical SMILES for 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide is C/N=C(\NCC1C=CC=C(C)C1)C1CCC(F)(F)CC1.
What is the InChIKey of 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide?
The InChIKey is MYJKJWXDFMAMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2/c1-12-4-3-5-13(10-12)11-20-15(19-2)14-6-8-16(17,18)9-7-14/h3-5,13-14H,6-11H2,1-2H3,(H,19,20).
What are the key properties of 4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide?
4,4-difluoro-N'-methyl-N-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide has a molecular weight of 282.38 g/mol, XLogP of 3.95, 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-[(5-methylcyclohexa-2,4-dien-1-yl)methyl]cyclohexane-1-carboximidamide is sourced from PubChem (CID 167148982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).