3-(2,2-difluoroethoxy)-2,4-dimethylaniline

C10H13F2NO — CID 62018691

IUPAC3-(2,2-difluoroethoxy)-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCC(F)F
InChIInChI=1S/C10H13F2NO/c1-6-3-4-8(13)7(2)10(6)14-5-9(11)12/h3-4,9H,5,13H2,1-2H3
InChIKeyXWIDHWPONMSUMR-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.53
Rot. Bonds3

About 3-(2,2-difluoroethoxy)-2,4-dimethylaniline

3-(2,2-difluoroethoxy)-2,4-dimethylaniline (PubChem CID 62018691) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-2,4-dimethylaniline.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-2,4-dimethylaniline
PubChem CID62018691
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name3-(2,2-difluoroethoxy)-2,4-dimethylaniline
SMILESCc1ccc(N)c(C)c1OCC(F)F
InChIInChI=1S/C10H13F2NO/c1-6-3-4-8(13)7(2)10(6)14-5-9(11)12/h3-4,9H,5,13H2,1-2H3
InChIKeyXWIDHWPONMSUMR-UHFFFAOYSA-N
XLogP2.53
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.53
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 3-(2,2-difluoroethoxy)-2,4-dimethylaniline?
The IUPAC name of 3-(2,2-difluoroethoxy)-2,4-dimethylaniline (CID 62018691) is 3-(2,2-difluoroethoxy)-2,4-dimethylaniline.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-2,4-dimethylaniline?
The canonical SMILES for 3-(2,2-difluoroethoxy)-2,4-dimethylaniline is Cc1ccc(N)c(C)c1OCC(F)F.
What is the InChIKey of 3-(2,2-difluoroethoxy)-2,4-dimethylaniline?
The InChIKey is XWIDHWPONMSUMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-6-3-4-8(13)7(2)10(6)14-5-9(11)12/h3-4,9H,5,13H2,1-2H3.
What are the key properties of 3-(2,2-difluoroethoxy)-2,4-dimethylaniline?
3-(2,2-difluoroethoxy)-2,4-dimethylaniline has a molecular weight of 201.22 g/mol, XLogP of 2.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-2,4-dimethylaniline is sourced from PubChem (CID 62018691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).