1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine

C9H5F6N — CID 10977588

IUPAC1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine
SMILESFC(F)(F)C(=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H5F6N/c10-8(11,12)7(9(13,14)15)16-6-4-2-1-3-5-6/h1-5H
InChIKeyWAOPHCHEIBALCR-UHFFFAOYSA-N
MW241.13 g/mol
LogP3.88
Rot. Bonds1

About 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine

1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine (PubChem CID 10977588) has the molecular formula C9H5F6N and a molecular weight of 241.13 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine
PubChem CID10977588
Molecular FormulaC9H5F6N
Molecular Weight241.13 g/mol
Exact Mass241.03
IUPAC Name1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine
SMILESFC(F)(F)C(=Nc1ccccc1)C(F)(F)F
InChIInChI=1S/C9H5F6N/c10-8(11,12)7(9(13,14)15)16-6-4-2-1-3-5-6/h1-5H
InChIKeyWAOPHCHEIBALCR-UHFFFAOYSA-N
XLogP3.88
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.13
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine (CID 10977588) is 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine is FC(F)(F)C(=Nc1ccccc1)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine?
The InChIKey is WAOPHCHEIBALCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F6N/c10-8(11,12)7(9(13,14)15)16-6-4-2-1-3-5-6/h1-5H.
What are the key properties of 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine?
1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine has a molecular weight of 241.13 g/mol, XLogP of 3.88, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-N-phenylpropan-2-imine is sourced from PubChem (CID 10977588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).