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

C10H13F2NO — CID 157201816

IUPAC4-(2,2-difluoroethoxy)-N,3-dimethylaniline
SMILESCNc1ccc(OCC(F)F)c(C)c1
InChIInChI=1S/C10H13F2NO/c1-7-5-8(13-2)3-4-9(7)14-6-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyAQWQEGBBFOOFAX-UHFFFAOYSA-N
MW201.22 g/mol
LogP2.68
Rot. Bonds4

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

4-(2,2-difluoroethoxy)-N,3-dimethylaniline (PubChem CID 157201816) has the molecular formula C10H13F2NO and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-(2,2-difluoroethoxy)-N,3-dimethylaniline.

Molecular Properties

Compound Name4-(2,2-difluoroethoxy)-N,3-dimethylaniline
PubChem CID157201816
Molecular FormulaC10H13F2NO
Molecular Weight201.22 g/mol
Exact Mass201.10
IUPAC Name4-(2,2-difluoroethoxy)-N,3-dimethylaniline
SMILESCNc1ccc(OCC(F)F)c(C)c1
InChIInChI=1S/C10H13F2NO/c1-7-5-8(13-2)3-4-9(7)14-6-10(11)12/h3-5,10,13H,6H2,1-2H3
InChIKeyAQWQEGBBFOOFAX-UHFFFAOYSA-N
XLogP2.68
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-difluoroethoxy)-N,3-dimethylaniline?
The IUPAC name of 4-(2,2-difluoroethoxy)-N,3-dimethylaniline (CID 157201816) is 4-(2,2-difluoroethoxy)-N,3-dimethylaniline.
What is the SMILES notation for 4-(2,2-difluoroethoxy)-N,3-dimethylaniline?
The canonical SMILES for 4-(2,2-difluoroethoxy)-N,3-dimethylaniline is CNc1ccc(OCC(F)F)c(C)c1.
What is the InChIKey of 4-(2,2-difluoroethoxy)-N,3-dimethylaniline?
The InChIKey is AQWQEGBBFOOFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2NO/c1-7-5-8(13-2)3-4-9(7)14-6-10(11)12/h3-5,10,13H,6H2,1-2H3.
What are the key properties of 4-(2,2-difluoroethoxy)-N,3-dimethylaniline?
4-(2,2-difluoroethoxy)-N,3-dimethylaniline has a molecular weight of 201.22 g/mol, XLogP of 2.68, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-difluoroethoxy)-N,3-dimethylaniline is sourced from PubChem (CID 157201816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).