2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide

C9H12F2N2 — CID 145092953

IUPAC2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=C(F)C(F)C(C)(C)C=C1
InChIInChI=1S/C9H12F2N2/c1-9(2)4-3-5(8(12)13)6(10)7(9)11/h3-4,7H,1-2H3,(H3,12,13)
InChIKeyGCLJIZHECJCXBW-UHFFFAOYSA-N
MW186.20 g/mol
LogP2.08
Rot. Bonds1

About 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide

2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide (PubChem CID 145092953) has the molecular formula C9H12F2N2 and a molecular weight of 186.20 g/mol. Its IUPAC name is 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide.

Molecular Properties

Compound Name2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide
PubChem CID145092953
Molecular FormulaC9H12F2N2
Molecular Weight186.20 g/mol
Exact Mass186.10
IUPAC Name2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide
SMILES[H]/N=C(\N)C1=C(F)C(F)C(C)(C)C=C1
InChIInChI=1S/C9H12F2N2/c1-9(2)4-3-5(8(12)13)6(10)7(9)11/h3-4,7H,1-2H3,(H3,12,13)
InChIKeyGCLJIZHECJCXBW-UHFFFAOYSA-N
XLogP2.08
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.20
LogP ≤ 52.08
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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Related Compounds

6-Fluorocyclohexa-1,5-diene-1-carboximidamide
CID 18759979
(2E,3E)-2-ethylidene-4-fluorohexa-3,5-dienimidamide
CID 91021348
(2Z,3Z)-2-(1-fluoroethylidene)-4-methylhexa-3,5-dienimidamide
CID 142166721
6-Fluoro-1-methylcyclohexa-2,4-diene-1-carboximidamide
CID 173214153
1-(Trifluoromethyl)cyclohexa-2,4-diene-1-carboximidamide
CID 152680541
4-Methylcyclohexa-1,5-diene-1-carboximidamide
CID 144726139
3-Methylcyclohexa-1,5-diene-1-carboximidamide
CID 156452109
1,3-Dimethylcyclohexa-2,4-diene-1-carboximidamide
CID 158221588
1,4-Dimethylcyclohexa-2,4-diene-1-carboximidamide
CID 153269815

Frequently Asked Questions

What is the IUPAC name of 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The IUPAC name of 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide (CID 145092953) is 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide.
What is the SMILES notation for 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The canonical SMILES for 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide is [H]/N=C(\N)C1=C(F)C(F)C(C)(C)C=C1.
What is the InChIKey of 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide?
The InChIKey is GCLJIZHECJCXBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F2N2/c1-9(2)4-3-5(8(12)13)6(10)7(9)11/h3-4,7H,1-2H3,(H3,12,13).
What are the key properties of 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide?
2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide has a molecular weight of 186.20 g/mol, XLogP of 2.08, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4,4-dimethylcyclohexa-1,5-diene-1-carboximidamide is sourced from PubChem (CID 145092953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).