2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine

C16H15F2NO — CID 59157199

IUPAC2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine
SMILESC/N=C(\c1ccc(Oc2ccccc2)cc1)C(C)(F)F
InChIInChI=1S/C16H15F2NO/c1-16(17,18)15(19-2)12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11H,1-2H3/b19-15+
InChIKeyGFMRHIKLDJDSRS-XDJHFCHBSA-N
MW275.30 g/mol
LogP4.55
Rot. Bonds4

About 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine

2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine (PubChem CID 59157199) has the molecular formula C16H15F2NO and a molecular weight of 275.30 g/mol. Its IUPAC name is 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine.

Molecular Properties

Compound Name2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine
PubChem CID59157199
Molecular FormulaC16H15F2NO
Molecular Weight275.30 g/mol
Exact Mass275.11
IUPAC Name2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine
SMILESC/N=C(\c1ccc(Oc2ccccc2)cc1)C(C)(F)F
InChIInChI=1S/C16H15F2NO/c1-16(17,18)15(19-2)12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11H,1-2H3/b19-15+
InChIKeyGFMRHIKLDJDSRS-XDJHFCHBSA-N
XLogP4.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.30
LogP ≤ 54.55
H-Bond Donors ≤ 50
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 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine?
The IUPAC name of 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine (CID 59157199) is 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine.
What is the SMILES notation for 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine?
The canonical SMILES for 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine is C/N=C(\c1ccc(Oc2ccccc2)cc1)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine?
The InChIKey is GFMRHIKLDJDSRS-XDJHFCHBSA-N. The full InChI is InChI=1S/C16H15F2NO/c1-16(17,18)15(19-2)12-8-10-14(11-9-12)20-13-6-4-3-5-7-13/h3-11H,1-2H3/b19-15+.
What are the key properties of 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine?
2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine has a molecular weight of 275.30 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-methyl-1-(4-phenoxyphenyl)propan-1-imine is sourced from PubChem (CID 59157199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).