4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline

C10H12F2N2O — CID 126606073

IUPAC4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(OC(F)F)ccc1NC
InChIInChI=1S/C10H12F2N2O/c1-6(13)8-5-7(15-10(11)12)3-4-9(8)14-2/h3-5,10,13-14H,1-2H3/b13-6+
InChIKeyDEJWCGVLJZBKOH-AWNIVKPZSA-N
MW214.22 g/mol
LogP2.72
Rot. Bonds4

About 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline

4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline (PubChem CID 126606073) has the molecular formula C10H12F2N2O and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline
PubChem CID126606073
Molecular FormulaC10H12F2N2O
Molecular Weight214.22 g/mol
Exact Mass214.09
IUPAC Name4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline
SMILES[H]/N=C(\C)c1cc(OC(F)F)ccc1NC
InChIInChI=1S/C10H12F2N2O/c1-6(13)8-5-7(15-10(11)12)3-4-9(8)14-2/h3-5,10,13-14H,1-2H3/b13-6+
InChIKeyDEJWCGVLJZBKOH-AWNIVKPZSA-N
XLogP2.72
TPSA45.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline?
The IUPAC name of 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline (CID 126606073) is 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline.
What is the SMILES notation for 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline?
The canonical SMILES for 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline is [H]/N=C(\C)c1cc(OC(F)F)ccc1NC.
What is the InChIKey of 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline?
The InChIKey is DEJWCGVLJZBKOH-AWNIVKPZSA-N. The full InChI is InChI=1S/C10H12F2N2O/c1-6(13)8-5-7(15-10(11)12)3-4-9(8)14-2/h3-5,10,13-14H,1-2H3/b13-6+.
What are the key properties of 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline?
4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline has a molecular weight of 214.22 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2-ethanimidoyl-N-methylaniline is sourced from PubChem (CID 126606073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).