4-(3,4-difluorophenyl)benzenecarboximidamide

C13H10F2N2 — CID 15114042

IUPAC4-(3,4-difluorophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H10F2N2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H3,16,17)
InChIKeyRMTVFXOTMXYQFT-UHFFFAOYSA-N
MW232.23 g/mol
LogP2.92
Rot. Bonds2

About 4-(3,4-difluorophenyl)benzenecarboximidamide

4-(3,4-difluorophenyl)benzenecarboximidamide (PubChem CID 15114042) has the molecular formula C13H10F2N2 and a molecular weight of 232.23 g/mol. Its IUPAC name is 4-(3,4-difluorophenyl)benzenecarboximidamide.

Molecular Properties

Compound Name4-(3,4-difluorophenyl)benzenecarboximidamide
PubChem CID15114042
Molecular FormulaC13H10F2N2
Molecular Weight232.23 g/mol
Exact Mass232.08
IUPAC Name4-(3,4-difluorophenyl)benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccc(-c2ccc(F)c(F)c2)cc1
InChIInChI=1S/C13H10F2N2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H3,16,17)
InChIKeyRMTVFXOTMXYQFT-UHFFFAOYSA-N
XLogP2.92
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.23
LogP ≤ 52.92
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-(4-bromophenyl)benzenecarboximidamide
CID 15564128
3-(4-chlorophenyl)benzenecarboximidamide
CID 6345111
4-fluorobenzenecarboximidamide;hydroiodide
CID 68780775
4-[3,5-bis(trifluoromethyl)phenyl]benzenecarboximidamide
CID 34178690
ethane;4-phenylbenzenecarboximidamide
CID 91221015
7-[3-(4-carbamimidoylphenyl)phenyl]naphthalene-2-carboximidamide
CID 164611720
4-(3,4-difluorophenyl)sulfanyl-3,5-difluorobenzenecarboximidamide
CID 81294523
4-(3-cyanophenyl)benzenecarboximidamide
CID 6345365
4-[5-[5-(4-chlorophenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 164946289
4-[(3,4-difluorophenyl)sulfanylmethyl]-3-fluorobenzenecarboximidamide
CID 43345183
4-[(3,4-difluorophenyl)methoxy]-3-fluorobenzenecarboximidamide
CID 107666642
4-[5-[5-(4-carbamimidoylphenyl)thiophen-2-yl]thiophen-2-yl]benzenecarboximidamide
CID 11689909

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-difluorophenyl)benzenecarboximidamide?
The IUPAC name of 4-(3,4-difluorophenyl)benzenecarboximidamide (CID 15114042) is 4-(3,4-difluorophenyl)benzenecarboximidamide.
What is the SMILES notation for 4-(3,4-difluorophenyl)benzenecarboximidamide?
The canonical SMILES for 4-(3,4-difluorophenyl)benzenecarboximidamide is [H]/N=C(\N)c1ccc(-c2ccc(F)c(F)c2)cc1.
What is the InChIKey of 4-(3,4-difluorophenyl)benzenecarboximidamide?
The InChIKey is RMTVFXOTMXYQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-11-6-5-10(7-12(11)15)8-1-3-9(4-2-8)13(16)17/h1-7H,(H3,16,17).
What are the key properties of 4-(3,4-difluorophenyl)benzenecarboximidamide?
4-(3,4-difluorophenyl)benzenecarboximidamide has a molecular weight of 232.23 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-difluorophenyl)benzenecarboximidamide is sourced from PubChem (CID 15114042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).