1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol

C24H21F2NO — CID 22993532

IUPAC1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C24H21F2NO/c25-20-13-12-19(16-21(20)26)23(24(28)14-7-15-24)27-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-13,16,23,28H,7,14-15H2
InChIKeyDXFOTKARSDMZAO-UHFFFAOYSA-N
MW377.43 g/mol
LogP5.46
Rot. Bonds5

About 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol

1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol (PubChem CID 22993532) has the molecular formula C24H21F2NO and a molecular weight of 377.43 g/mol. Its IUPAC name is 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol.

Molecular Properties

Compound Name1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol
PubChem CID22993532
Molecular FormulaC24H21F2NO
Molecular Weight377.43 g/mol
Exact Mass377.16
IUPAC Name1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol
SMILESOC1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(F)c(F)c2)CCC1
InChIInChI=1S/C24H21F2NO/c25-20-13-12-19(16-21(20)26)23(24(28)14-7-15-24)27-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-13,16,23,28H,7,14-15H2
InChIKeyDXFOTKARSDMZAO-UHFFFAOYSA-N
XLogP5.46
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.43
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol?
The IUPAC name of 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol (CID 22993532) is 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol.
What is the SMILES notation for 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol?
The canonical SMILES for 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol is OC1(C(N=C(c2ccccc2)c2ccccc2)c2ccc(F)c(F)c2)CCC1.
What is the InChIKey of 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol?
The InChIKey is DXFOTKARSDMZAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO/c25-20-13-12-19(16-21(20)26)23(24(28)14-7-15-24)27-22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-13,16,23,28H,7,14-15H2.
What are the key properties of 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol?
1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol has a molecular weight of 377.43 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(benzhydrylideneamino)-(3,4-difluorophenyl)methyl]cyclobutan-1-ol is sourced from PubChem (CID 22993532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).