3-ethyl-4,5-difluoro-2-methanimidoylaniline

C9H10F2N2 — CID 170956228

IUPAC3-ethyl-4,5-difluoro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(F)c(F)c1CC
InChIInChI=1S/C9H10F2N2/c1-2-5-6(4-12)8(13)3-7(10)9(5)11/h3-4,12H,2,13H2,1H3/b12-4+
InChIKeyLGEPARDRGOWXHO-UUILKARUSA-N
MW184.19 g/mol
LogP2.11
Rot. Bonds2

About 3-ethyl-4,5-difluoro-2-methanimidoylaniline

3-ethyl-4,5-difluoro-2-methanimidoylaniline (PubChem CID 170956228) has the molecular formula C9H10F2N2 and a molecular weight of 184.19 g/mol. Its IUPAC name is 3-ethyl-4,5-difluoro-2-methanimidoylaniline.

Molecular Properties

Compound Name3-ethyl-4,5-difluoro-2-methanimidoylaniline
PubChem CID170956228
Molecular FormulaC9H10F2N2
Molecular Weight184.19 g/mol
Exact Mass184.08
IUPAC Name3-ethyl-4,5-difluoro-2-methanimidoylaniline
SMILES[H]/N=C/c1c(N)cc(F)c(F)c1CC
InChIInChI=1S/C9H10F2N2/c1-2-5-6(4-12)8(13)3-7(10)9(5)11/h3-4,12H,2,13H2,1H3/b12-4+
InChIKeyLGEPARDRGOWXHO-UUILKARUSA-N
XLogP2.11
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.19
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4,5-difluoro-2-methanimidoylaniline?
The IUPAC name of 3-ethyl-4,5-difluoro-2-methanimidoylaniline (CID 170956228) is 3-ethyl-4,5-difluoro-2-methanimidoylaniline.
What is the SMILES notation for 3-ethyl-4,5-difluoro-2-methanimidoylaniline?
The canonical SMILES for 3-ethyl-4,5-difluoro-2-methanimidoylaniline is [H]/N=C/c1c(N)cc(F)c(F)c1CC.
What is the InChIKey of 3-ethyl-4,5-difluoro-2-methanimidoylaniline?
The InChIKey is LGEPARDRGOWXHO-UUILKARUSA-N. The full InChI is InChI=1S/C9H10F2N2/c1-2-5-6(4-12)8(13)3-7(10)9(5)11/h3-4,12H,2,13H2,1H3/b12-4+.
What are the key properties of 3-ethyl-4,5-difluoro-2-methanimidoylaniline?
3-ethyl-4,5-difluoro-2-methanimidoylaniline has a molecular weight of 184.19 g/mol, XLogP of 2.11, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4,5-difluoro-2-methanimidoylaniline is sourced from PubChem (CID 170956228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).