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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Related Compounds

N-[5-(difluoromethyl)-3-pyridinyl]-1,1-diphenylmethanimine
CID 156507700
2-[5-(benzhydrylideneamino)-2-pyridinyl]propan-2-ol
CID 121256190
[5-(benzhydrylideneamino)-3-pyridinyl]-chlorocarbamic acid
CID 89455050
tert-butyl N-[1-[5-(benzhydrylideneamino)-3-pyridinyl]-3,3-difluoropropyl]carbamate
CID 172594102
N-[6-methyl-5-[(E)-prop-1-enyl]-3-pyridinyl]-1,1-diphenylmethanimine
CID 143871675
N-phenyl-1,1-bis[4-(trifluoromethyl)phenyl]methanimine
CID 2317227
N-(3,5-dimethylphenyl)-1,1-diphenylmethanimine
CID 11033428
N-[5-(difluoromethyl)-6-pyrimidin-2-yl-3-pyridinyl]-1,1-diphenylmethanimine
CID 170741206
5-(1,1-difluoroethyl)pyridine-3-carboxamide
CID 170579428
5-(benzhydrylideneamino)-2-[4-(trifluoromethyl)pyrazol-1-yl]pyridine-3-sulfonamide
CID 138559643
1,1-difluoroethylbenzene
CID 10942535
4-(benzhydrylideneamino)benzene-1,2-diol
CID 175353708

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).