4-(difluoromethyl)benzenecarboximidamide

C8H8F2N2 — CID 83854591

IUPAC4-(difluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2N2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H3,11,12)
InChIKeyMTZJNDUFULAOFI-UHFFFAOYSA-N
MW170.16 g/mol
LogP1.91
Rot. Bonds2

About 4-(difluoromethyl)benzenecarboximidamide

4-(difluoromethyl)benzenecarboximidamide (PubChem CID 83854591) has the molecular formula C8H8F2N2 and a molecular weight of 170.16 g/mol. Its IUPAC name is 4-(difluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(difluoromethyl)benzenecarboximidamide
PubChem CID83854591
Molecular FormulaC8H8F2N2
Molecular Weight170.16 g/mol
Exact Mass170.07
IUPAC Name4-(difluoromethyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(C(F)F)cc1
InChIInChI=1S/C8H8F2N2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H3,11,12)
InChIKeyMTZJNDUFULAOFI-UHFFFAOYSA-N
XLogP1.91
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.16
LogP ≤ 51.91
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

4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-aminobenzenecarboximidamide;ethane
CID 142339418
4-ethanimidoylbenzenecarboximidamide
CID 148687988
benzenecarboximidamide;sulfane
CID 172701796
4-aminooxybenzenecarboximidamide
CID 10441869
4-methylphosphanylbenzenecarboximidamide
CID 156750976
4-[2-(4-carbamimidoylanilino)ethylamino]benzenecarboximidamide;dihydrochloride
CID 46837859
6-propan-2-ylnaphthalene-2-carboximidamide
CID 138525860
borinine-4-carboximidamide
CID 141334946
benzenecarboximidamide;hydron;chloride
CID 66824376
4-(4-bromophenyl)benzenecarboximidamide
CID 15564128
4-(hydroxymethyl)benzenecarboximidamide;hydrochloride
CID 15597453

Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethyl)benzenecarboximidamide?
The IUPAC name of 4-(difluoromethyl)benzenecarboximidamide (CID 83854591) is 4-(difluoromethyl)benzenecarboximidamide.
What is the SMILES notation for 4-(difluoromethyl)benzenecarboximidamide?
The canonical SMILES for 4-(difluoromethyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(C(F)F)cc1.
What is the InChIKey of 4-(difluoromethyl)benzenecarboximidamide?
The InChIKey is MTZJNDUFULAOFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N2/c9-7(10)5-1-3-6(4-2-5)8(11)12/h1-4,7H,(H3,11,12).
What are the key properties of 4-(difluoromethyl)benzenecarboximidamide?
4-(difluoromethyl)benzenecarboximidamide has a molecular weight of 170.16 g/mol, XLogP of 1.91, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 83854591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).