N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine

C20H16F2N2 — CID 90020358

IUPACN-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESCC(F)(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16F2N2/c1-20(21,22)17-12-18(14-23-13-17)24-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyKEUOKAXRHLRNCS-UHFFFAOYSA-N
MW322.36 g/mol
LogP5.36
Rot. Bonds4

About N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine

N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine (PubChem CID 90020358) has the molecular formula C20H16F2N2 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine.

Molecular Properties

Compound NameN-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
PubChem CID90020358
Molecular FormulaC20H16F2N2
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine
SMILESCC(F)(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C20H16F2N2/c1-20(21,22)17-12-18(14-23-13-17)24-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3
InChIKeyKEUOKAXRHLRNCS-UHFFFAOYSA-N
XLogP5.36
TPSA25.25 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.36
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The IUPAC name of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine (CID 90020358) is N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine.
What is the SMILES notation for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The canonical SMILES for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine is CC(F)(F)c1cncc(N=C(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
The InChIKey is KEUOKAXRHLRNCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16F2N2/c1-20(21,22)17-12-18(14-23-13-17)24-19(15-8-4-2-5-9-15)16-10-6-3-7-11-16/h2-14H,1H3.
What are the key properties of N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine?
N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine has a molecular weight of 322.36 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1,1-difluoroethyl)-3-pyridinyl]-1,1-diphenylmethanimine is sourced from PubChem (CID 90020358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).