2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine

C12H15F2N — CID 101419529

IUPAC2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(\c1ccccc1)C(C)(F)F
InChIInChI=1S/C12H15F2N/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+
InChIKeyQXRHERYXQVEHDP-RVDMUPIBSA-N
MW211.25 g/mol
LogP3.54
Rot. Bonds3

About 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine

2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine (PubChem CID 101419529) has the molecular formula C12H15F2N and a molecular weight of 211.25 g/mol. Its IUPAC name is 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine.

Molecular Properties

Compound Name2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine
PubChem CID101419529
Molecular FormulaC12H15F2N
Molecular Weight211.25 g/mol
Exact Mass211.12
IUPAC Name2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine
SMILESCC(C)/N=C(\c1ccccc1)C(C)(F)F
InChIInChI=1S/C12H15F2N/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+
InChIKeyQXRHERYXQVEHDP-RVDMUPIBSA-N
XLogP3.54
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.25
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-Benzylidenepropylamine
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5-phenyl-3,4-dihydro-2H-pyrrole
CID 261893
Benzhydrylidene methylamine
CID 576539
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CID 296031

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The IUPAC name of 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine (CID 101419529) is 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine.
What is the SMILES notation for 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The canonical SMILES for 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine is CC(C)/N=C(\c1ccccc1)C(C)(F)F.
What is the InChIKey of 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
The InChIKey is QXRHERYXQVEHDP-RVDMUPIBSA-N. The full InChI is InChI=1S/C12H15F2N/c1-9(2)15-11(12(3,13)14)10-7-5-4-6-8-10/h4-9H,1-3H3/b15-11+.
What are the key properties of 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine?
2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine has a molecular weight of 211.25 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-1-phenyl-N-propan-2-ylpropan-1-imine is sourced from PubChem (CID 101419529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).