4-(difluoromethoxy)-2,6-dimethylaniline

C9H11F2NO — CID 97057514

IUPAC4-(difluoromethoxy)-2,6-dimethylaniline
SMILESCc1cc(OC(F)F)cc(C)c1N
InChIInChI=1S/C9H11F2NO/c1-5-3-7(13-9(10)11)4-6(2)8(5)12/h3-4,9H,12H2,1-2H3
InChIKeyDFBFJAHDOGROAV-UHFFFAOYSA-N
MW187.19 g/mol
LogP2.49
Rot. Bonds2

About 4-(difluoromethoxy)-2,6-dimethylaniline

4-(difluoromethoxy)-2,6-dimethylaniline (PubChem CID 97057514) has the molecular formula C9H11F2NO and a molecular weight of 187.19 g/mol. Its IUPAC name is 4-(difluoromethoxy)-2,6-dimethylaniline.

Molecular Properties

Compound Name4-(difluoromethoxy)-2,6-dimethylaniline
PubChem CID97057514
Molecular FormulaC9H11F2NO
Molecular Weight187.19 g/mol
Exact Mass187.08
IUPAC Name4-(difluoromethoxy)-2,6-dimethylaniline
SMILESCc1cc(OC(F)F)cc(C)c1N
InChIInChI=1S/C9H11F2NO/c1-5-3-7(13-9(10)11)4-6(2)8(5)12/h3-4,9H,12H2,1-2H3
InChIKeyDFBFJAHDOGROAV-UHFFFAOYSA-N
XLogP2.49
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.19
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(difluoromethoxy)-2,6-dimethylaniline?
The IUPAC name of 4-(difluoromethoxy)-2,6-dimethylaniline (CID 97057514) is 4-(difluoromethoxy)-2,6-dimethylaniline.
What is the SMILES notation for 4-(difluoromethoxy)-2,6-dimethylaniline?
The canonical SMILES for 4-(difluoromethoxy)-2,6-dimethylaniline is Cc1cc(OC(F)F)cc(C)c1N.
What is the InChIKey of 4-(difluoromethoxy)-2,6-dimethylaniline?
The InChIKey is DFBFJAHDOGROAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2NO/c1-5-3-7(13-9(10)11)4-6(2)8(5)12/h3-4,9H,12H2,1-2H3.
What are the key properties of 4-(difluoromethoxy)-2,6-dimethylaniline?
4-(difluoromethoxy)-2,6-dimethylaniline has a molecular weight of 187.19 g/mol, XLogP of 2.49, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(difluoromethoxy)-2,6-dimethylaniline is sourced from PubChem (CID 97057514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).