2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol

C22H19F2NO — CID 136968910

IUPAC2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
SMILESCc1cc(C(C)(F)F)ccc1/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C22H19F2NO/c1-15-13-18(22(2,23)24)11-12-20(15)25-14-17-9-6-10-19(21(17)26)16-7-4-3-5-8-16/h3-14,26H,1-2H3/b25-14+
InChIKeyHZSZIDNLCSOQFZ-AFUMVMLFSA-N
MW351.40 g/mol
LogP6.23
Rot. Bonds4

About 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol

2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol (PubChem CID 136968910) has the molecular formula C22H19F2NO and a molecular weight of 351.40 g/mol. Its IUPAC name is 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol.

Molecular Properties

Compound Name2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
PubChem CID136968910
Molecular FormulaC22H19F2NO
Molecular Weight351.40 g/mol
Exact Mass351.14
IUPAC Name2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol
SMILESCc1cc(C(C)(F)F)ccc1/N=C/c1cccc(-c2ccccc2)c1O
InChIInChI=1S/C22H19F2NO/c1-15-13-18(22(2,23)24)11-12-20(15)25-14-17-9-6-10-19(21(17)26)16-7-4-3-5-8-16/h3-14,26H,1-2H3/b25-14+
InChIKeyHZSZIDNLCSOQFZ-AFUMVMLFSA-N
XLogP6.23
TPSA32.59 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500351.40
LogP ≤ 56.23
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-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol?
The IUPAC name of 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol (CID 136968910) is 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol.
What is the SMILES notation for 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol?
The canonical SMILES for 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol is Cc1cc(C(C)(F)F)ccc1/N=C/c1cccc(-c2ccccc2)c1O.
What is the InChIKey of 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol?
The InChIKey is HZSZIDNLCSOQFZ-AFUMVMLFSA-N. The full InChI is InChI=1S/C22H19F2NO/c1-15-13-18(22(2,23)24)11-12-20(15)25-14-17-9-6-10-19(21(17)26)16-7-4-3-5-8-16/h3-14,26H,1-2H3/b25-14+.
What are the key properties of 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol?
2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol has a molecular weight of 351.40 g/mol, XLogP of 6.23, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(1,1-difluoroethyl)-2-methylphenyl]iminomethyl]-6-phenylphenol is sourced from PubChem (CID 136968910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).