2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol

C24H21F2NO — CID 22993501

IUPAC2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol
SMILESOC(C1CC1)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2NO/c25-20-14-13-19(15-21(20)26)23(24(28)18-11-12-18)27-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18,23-24,28H,11-12H2
InChIKeyVPANDLHPNGGFNH-UHFFFAOYSA-N
MW377.43 g/mol
LogP5.31
Rot. Bonds6

About 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol

2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol (PubChem CID 22993501) has the molecular formula C24H21F2NO and a molecular weight of 377.43 g/mol. Its IUPAC name is 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol.

Molecular Properties

Compound Name2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol
PubChem CID22993501
Molecular FormulaC24H21F2NO
Molecular Weight377.43 g/mol
Exact Mass377.16
IUPAC Name2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol
SMILESOC(C1CC1)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C24H21F2NO/c25-20-14-13-19(15-21(20)26)23(24(28)18-11-12-18)27-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18,23-24,28H,11-12H2
InChIKeyVPANDLHPNGGFNH-UHFFFAOYSA-N
XLogP5.31
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.43
LogP ≤ 55.31
H-Bond Donors ≤ 51
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 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol?
The IUPAC name of 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol (CID 22993501) is 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol.
What is the SMILES notation for 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol?
The canonical SMILES for 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol is OC(C1CC1)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol?
The InChIKey is VPANDLHPNGGFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2NO/c25-20-14-13-19(15-21(20)26)23(24(28)18-11-12-18)27-22(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-10,13-15,18,23-24,28H,11-12H2.
What are the key properties of 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol?
2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol has a molecular weight of 377.43 g/mol, XLogP of 5.31, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzhydrylideneamino)-1-cyclopropyl-2-(3,4-difluorophenyl)ethanol is sourced from PubChem (CID 22993501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).