2,2-difluoro-N-(1-phenylethyl)ethanimine

C10H11F2N — CID 4712673

IUPAC2,2-difluoro-N-(1-phenylethyl)ethanimine
SMILESCC(/N=C/C(F)F)c1ccccc1
InChIInChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/b13-7+
InChIKeyMOMZKLAUXURNPG-NTUHNPAUSA-N
MW183.20 g/mol
LogP3.08
Rot. Bonds3

About 2,2-difluoro-N-(1-phenylethyl)ethanimine

2,2-difluoro-N-(1-phenylethyl)ethanimine (PubChem CID 4712673) has the molecular formula C10H11F2N and a molecular weight of 183.20 g/mol. Its IUPAC name is 2,2-difluoro-N-(1-phenylethyl)ethanimine.

Molecular Properties

Compound Name2,2-difluoro-N-(1-phenylethyl)ethanimine
PubChem CID4712673
Molecular FormulaC10H11F2N
Molecular Weight183.20 g/mol
Exact Mass183.09
IUPAC Name2,2-difluoro-N-(1-phenylethyl)ethanimine
SMILESCC(/N=C/C(F)F)c1ccccc1
InChIInChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/b13-7+
InChIKeyMOMZKLAUXURNPG-NTUHNPAUSA-N
XLogP3.08
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.20
LogP ≤ 53.08
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 2,2-difluoro-N-(1-phenylethyl)ethanimine?
The IUPAC name of 2,2-difluoro-N-(1-phenylethyl)ethanimine (CID 4712673) is 2,2-difluoro-N-(1-phenylethyl)ethanimine.
What is the SMILES notation for 2,2-difluoro-N-(1-phenylethyl)ethanimine?
The canonical SMILES for 2,2-difluoro-N-(1-phenylethyl)ethanimine is CC(/N=C/C(F)F)c1ccccc1.
What is the InChIKey of 2,2-difluoro-N-(1-phenylethyl)ethanimine?
The InChIKey is MOMZKLAUXURNPG-NTUHNPAUSA-N. The full InChI is InChI=1S/C10H11F2N/c1-8(13-7-10(11)12)9-5-3-2-4-6-9/h2-8,10H,1H3/b13-7+.
What are the key properties of 2,2-difluoro-N-(1-phenylethyl)ethanimine?
2,2-difluoro-N-(1-phenylethyl)ethanimine has a molecular weight of 183.20 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-(1-phenylethyl)ethanimine is sourced from PubChem (CID 4712673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).