benzhydrylidene-benzyl-(difluoromethyl)azanium

C21H17F2N — CID 177428875

IUPACbenzhydrylidene-benzyl-(difluoromethyl)azanium
SMILESF[C-](F)[N+](Cc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F2N/c22-21(23)24(16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyCLUVQRVBPPTUOA-UHFFFAOYSA-N
MW321.37 g/mol
LogP5.12
Rot. Bonds5

About benzhydrylidene-benzyl-(difluoromethyl)azanium

benzhydrylidene-benzyl-(difluoromethyl)azanium (PubChem CID 177428875) has the molecular formula C21H17F2N and a molecular weight of 321.37 g/mol. Its IUPAC name is benzhydrylidene-benzyl-(difluoromethyl)azanium.

Molecular Properties

Compound Namebenzhydrylidene-benzyl-(difluoromethyl)azanium
PubChem CID177428875
Molecular FormulaC21H17F2N
Molecular Weight321.37 g/mol
Exact Mass321.13
IUPAC Namebenzhydrylidene-benzyl-(difluoromethyl)azanium
SMILESF[C-](F)[N+](Cc1ccccc1)=C(c1ccccc1)c1ccccc1
InChIInChI=1S/C21H17F2N/c22-21(23)24(16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2
InChIKeyCLUVQRVBPPTUOA-UHFFFAOYSA-N
XLogP5.12
TPSA3.01 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.37
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'N-C-halo', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

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CID 19043257
CID 19043257
benzoic acid;phenylmethanol
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CID 6152777

Frequently Asked Questions

What is the IUPAC name of benzhydrylidene-benzyl-(difluoromethyl)azanium?
The IUPAC name of benzhydrylidene-benzyl-(difluoromethyl)azanium (CID 177428875) is benzhydrylidene-benzyl-(difluoromethyl)azanium.
What is the SMILES notation for benzhydrylidene-benzyl-(difluoromethyl)azanium?
The canonical SMILES for benzhydrylidene-benzyl-(difluoromethyl)azanium is F[C-](F)[N+](Cc1ccccc1)=C(c1ccccc1)c1ccccc1.
What is the InChIKey of benzhydrylidene-benzyl-(difluoromethyl)azanium?
The InChIKey is CLUVQRVBPPTUOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F2N/c22-21(23)24(16-17-10-4-1-5-11-17)20(18-12-6-2-7-13-18)19-14-8-3-9-15-19/h1-15H,16H2.
What are the key properties of benzhydrylidene-benzyl-(difluoromethyl)azanium?
benzhydrylidene-benzyl-(difluoromethyl)azanium has a molecular weight of 321.37 g/mol, XLogP of 5.12, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for benzhydrylidene-benzyl-(difluoromethyl)azanium is sourced from PubChem (CID 177428875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).