2,3-difluoro-4-propan-2-ylbenzenecarboximidamide

C10H12F2N2 — CID 58290292

IUPAC2,3-difluoro-4-propan-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)C)c(F)c1F
InChIInChI=1S/C10H12F2N2/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5H,1-2H3,(H3,13,14)
InChIKeyASCLUXHRAHXBHG-UHFFFAOYSA-N
MW198.22 g/mol
LogP2.37
Rot. Bonds2

About 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide

2,3-difluoro-4-propan-2-ylbenzenecarboximidamide (PubChem CID 58290292) has the molecular formula C10H12F2N2 and a molecular weight of 198.22 g/mol. Its IUPAC name is 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide.

Molecular Properties

Compound Name2,3-difluoro-4-propan-2-ylbenzenecarboximidamide
PubChem CID58290292
Molecular FormulaC10H12F2N2
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name2,3-difluoro-4-propan-2-ylbenzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(C)C)c(F)c1F
InChIInChI=1S/C10H12F2N2/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5H,1-2H3,(H3,13,14)
InChIKeyASCLUXHRAHXBHG-UHFFFAOYSA-N
XLogP2.37
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 52.37
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 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide?
The IUPAC name of 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide (CID 58290292) is 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide.
What is the SMILES notation for 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide?
The canonical SMILES for 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide is [H]/N=C(\N)c1ccc(C(C)C)c(F)c1F.
What is the InChIKey of 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide?
The InChIKey is ASCLUXHRAHXBHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N2/c1-5(2)6-3-4-7(10(13)14)9(12)8(6)11/h3-5H,1-2H3,(H3,13,14).
What are the key properties of 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide?
2,3-difluoro-4-propan-2-ylbenzenecarboximidamide has a molecular weight of 198.22 g/mol, XLogP of 2.37, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-difluoro-4-propan-2-ylbenzenecarboximidamide is sourced from PubChem (CID 58290292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).