1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol

C22H19F2NO — CID 22049431

IUPAC1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2NO/c1-15(26)21(18-12-13-19(23)20(24)14-18)25-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21,26H,1H3
InChIKeyHGJWWNVKOQBQKB-UHFFFAOYSA-N
MW351.40 g/mol
LogP4.92
Rot. Bonds5

About 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol

1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol (PubChem CID 22049431) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol.

Molecular Properties

Compound Name1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
PubChem CID22049431
Molecular FormulaC22H19F2NO
Molecular Weight351.40 g/mol
Exact Mass351.14
IUPAC Name1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol
SMILESCC(O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1
InChIInChI=1S/C22H19F2NO/c1-15(26)21(18-12-13-19(23)20(24)14-18)25-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21,26H,1H3
InChIKeyHGJWWNVKOQBQKB-UHFFFAOYSA-N
XLogP4.92
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 54.92
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 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol?
The IUPAC name of 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol (CID 22049431) is 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol.
What is the SMILES notation for 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol?
The canonical SMILES for 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol is CC(O)C(N=C(c1ccccc1)c1ccccc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol?
The InChIKey is HGJWWNVKOQBQKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2NO/c1-15(26)21(18-12-13-19(23)20(24)14-18)25-22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-15,21,26H,1H3.
What are the key properties of 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol?
1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol has a molecular weight of 351.40 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzhydrylideneamino)-1-(3,4-difluorophenyl)propan-2-ol is sourced from PubChem (CID 22049431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).