2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline

C10H10F5NO2 — CID 165350168

IUPAC2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
SMILESCN(C)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C10H10F5NO2/c1-16(2)7-4-3-6(18-10(13,14)15)5-8(7)17-9(11)12/h3-5,9H,1-2H3
InChIKeyNDFZLIJQCSFGNR-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.25
Rot. Bonds4

About 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline

2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline (PubChem CID 165350168) has the molecular formula C10H10F5NO2 and a molecular weight of 271.19 g/mol. Its IUPAC name is 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline.

Molecular Properties

Compound Name2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
PubChem CID165350168
Molecular FormulaC10H10F5NO2
Molecular Weight271.19 g/mol
Exact Mass271.06
IUPAC Name2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline
SMILESCN(C)c1ccc(OC(F)(F)F)cc1OC(F)F
InChIInChI=1S/C10H10F5NO2/c1-16(2)7-4-3-6(18-10(13,14)15)5-8(7)17-9(11)12/h3-5,9H,1-2H3
InChIKeyNDFZLIJQCSFGNR-UHFFFAOYSA-N
XLogP3.25
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline?
The IUPAC name of 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline (CID 165350168) is 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline.
What is the SMILES notation for 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline?
The canonical SMILES for 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline is CN(C)c1ccc(OC(F)(F)F)cc1OC(F)F.
What is the InChIKey of 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline?
The InChIKey is NDFZLIJQCSFGNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F5NO2/c1-16(2)7-4-3-6(18-10(13,14)15)5-8(7)17-9(11)12/h3-5,9H,1-2H3.
What are the key properties of 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline?
2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline has a molecular weight of 271.19 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethoxy)-N,N-dimethyl-4-(trifluoromethoxy)aniline is sourced from PubChem (CID 165350168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).