N,N'-bis(4-fluorophenyl)methanimidamide

C13H10F2N2 — CID 101435045

IUPACN,N'-bis(4-fluorophenyl)methanimidamide
SMILESFc1ccc(/[15N]=C/[15NH]c2ccc(F)cc2)cc1
InChIInChI=1S/C13H10F2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-9H,(H,16,17)/i16+1,17+1
InChIKeyPCHZKCUZOPHXSZ-JVQNMGKOSA-N
MW234.22 g/mol
LogP3.74
Rot. Bonds3

About N,N'-bis(4-fluorophenyl)methanimidamide

N,N'-bis(4-fluorophenyl)methanimidamide (PubChem CID 101435045) has the molecular formula C13H10F2N2 and a molecular weight of 234.22 g/mol. Its IUPAC name is N,N'-bis(4-fluorophenyl)methanimidamide.

Molecular Properties

Compound NameN,N'-bis(4-fluorophenyl)methanimidamide
PubChem CID101435045
Molecular FormulaC13H10F2N2
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC NameN,N'-bis(4-fluorophenyl)methanimidamide
SMILESFc1ccc(/[15N]=C/[15NH]c2ccc(F)cc2)cc1
InChIInChI=1S/C13H10F2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-9H,(H,16,17)/i16+1,17+1
InChIKeyPCHZKCUZOPHXSZ-JVQNMGKOSA-N
XLogP3.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 53.74
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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Related Compounds

dilithium;tris(N,N'-bis(4-methylphenyl)methanimidamide)
CID 50933370
4-[(4-carbamimidoylphenyl)iminomethylamino]benzenecarboximidamide
CID 71586518
N'-(4-chlorophenyl)-N-(4-ethoxyphenyl)methanimidamide
CID 525798
N-(4-fluorophenyl)-2-methylpropan-1-imine
CID 131236159
4-fluoro-N-[(4-fluorophenyl)diazenyl](15N2)aniline
CID 101380460
(4-fluorophenyl)hydrazine;hydrate
CID 19886243
N'-[4-[(E)-2-quinolin-4-ylethenyl]phenyl]-N-[4-[(Z)-2-quinolin-4-ylethenyl]phenyl]methanimidamide
CID 92527917
N-[(E)-1-(4-chlorophenyl)-3-(4-fluorophenyl)iminoprop-1-enyl]-4-fluoroaniline
CID 6174604
1-(4-fluorophenyl)-N-(4-iodophenyl)methanimine
CID 554998
(E)-3-(4-fluoroanilino)prop-2-enoic acid
CID 103234514
4-[(4-fluorophenyl)methylideneamino]benzenethiol
CID 15543881
N-[1-(4-fluorophenyl)-3-[4-(trifluoromethyl)phenyl]iminoprop-1-enyl]-4-(trifluoromethyl)aniline
CID 3579255

Frequently Asked Questions

What is the IUPAC name of N,N'-bis(4-fluorophenyl)methanimidamide?
The IUPAC name of N,N'-bis(4-fluorophenyl)methanimidamide (CID 101435045) is N,N'-bis(4-fluorophenyl)methanimidamide.
What is the SMILES notation for N,N'-bis(4-fluorophenyl)methanimidamide?
The canonical SMILES for N,N'-bis(4-fluorophenyl)methanimidamide is Fc1ccc(/[15N]=C/[15NH]c2ccc(F)cc2)cc1.
What is the InChIKey of N,N'-bis(4-fluorophenyl)methanimidamide?
The InChIKey is PCHZKCUZOPHXSZ-JVQNMGKOSA-N. The full InChI is InChI=1S/C13H10F2N2/c14-10-1-5-12(6-2-10)16-9-17-13-7-3-11(15)4-8-13/h1-9H,(H,16,17)/i16+1,17+1.
What are the key properties of N,N'-bis(4-fluorophenyl)methanimidamide?
N,N'-bis(4-fluorophenyl)methanimidamide has a molecular weight of 234.22 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,N'-bis(4-fluorophenyl)methanimidamide is sourced from PubChem (CID 101435045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).