N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine

C20H15F2N — CID 22048640

IUPACN-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine
SMILESFc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C20H15F2N/c21-18-12-11-15(13-19(18)22)14-23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyOOZKXAQULNIJMM-UHFFFAOYSA-N
MW307.34 g/mol
LogP5.00
Rot. Bonds4

About N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine

N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine (PubChem CID 22048640) has the molecular formula C20H15F2N and a molecular weight of 307.34 g/mol. Its IUPAC name is N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine
PubChem CID22048640
Molecular FormulaC20H15F2N
Molecular Weight307.34 g/mol
Exact Mass307.12
IUPAC NameN-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine
SMILESFc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1F
InChIInChI=1S/C20H15F2N/c21-18-12-11-15(13-19(18)22)14-23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2
InChIKeyOOZKXAQULNIJMM-UHFFFAOYSA-N
XLogP5.00
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500307.34
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine (CID 22048640) is N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine is Fc1ccc(CN=C(c2ccccc2)c2ccccc2)cc1F.
What is the InChIKey of N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine?
The InChIKey is OOZKXAQULNIJMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F2N/c21-18-12-11-15(13-19(18)22)14-23-20(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-13H,14H2.
What are the key properties of N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine?
N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine has a molecular weight of 307.34 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,4-difluorophenyl)methyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 22048640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).