N,2-difluoro-2-phenylethanimine

C8H7F2N — CID 23233276

IUPACN,2-difluoro-2-phenylethanimine
SMILESFN=CC(F)c1ccccc1
InChIInChI=1S/C8H7F2N/c9-8(6-11-10)7-4-2-1-3-5-7/h1-6,8H
InChIKeyQSMOASWESCODDZ-UHFFFAOYSA-N
MW155.15 g/mol
LogP2.65
Rot. Bonds2

About N,2-difluoro-2-phenylethanimine

N,2-difluoro-2-phenylethanimine (PubChem CID 23233276) has the molecular formula C8H7F2N and a molecular weight of 155.15 g/mol. Its IUPAC name is N,2-difluoro-2-phenylethanimine.

Molecular Properties

Compound NameN,2-difluoro-2-phenylethanimine
PubChem CID23233276
Molecular FormulaC8H7F2N
Molecular Weight155.15 g/mol
Exact Mass155.05
IUPAC NameN,2-difluoro-2-phenylethanimine
SMILESFN=CC(F)c1ccccc1
InChIInChI=1S/C8H7F2N/c9-8(6-11-10)7-4-2-1-3-5-7/h1-6,8H
InChIKeyQSMOASWESCODDZ-UHFFFAOYSA-N
XLogP2.65
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.15
LogP ≤ 52.65
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 N,2-difluoro-2-phenylethanimine?
The IUPAC name of N,2-difluoro-2-phenylethanimine (CID 23233276) is N,2-difluoro-2-phenylethanimine.
What is the SMILES notation for N,2-difluoro-2-phenylethanimine?
The canonical SMILES for N,2-difluoro-2-phenylethanimine is FN=CC(F)c1ccccc1.
What is the InChIKey of N,2-difluoro-2-phenylethanimine?
The InChIKey is QSMOASWESCODDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7F2N/c9-8(6-11-10)7-4-2-1-3-5-7/h1-6,8H.
What are the key properties of N,2-difluoro-2-phenylethanimine?
N,2-difluoro-2-phenylethanimine has a molecular weight of 155.15 g/mol, XLogP of 2.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-difluoro-2-phenylethanimine is sourced from PubChem (CID 23233276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).