2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine

C10H14F2N2O — CID 79588821

IUPAC2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-14(2)7-3-4-8(13)9(5-7)15-6-10(11)12/h3-5,10H,6,13H2,1-2H3
InChIKeyJYZDGLIRLIMRNH-UHFFFAOYSA-N
MW216.23 g/mol
LogP1.98
Rot. Bonds4

About 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine

2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine (PubChem CID 79588821) has the molecular formula C10H14F2N2O and a molecular weight of 216.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine.

Molecular Properties

Compound Name2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
PubChem CID79588821
Molecular FormulaC10H14F2N2O
Molecular Weight216.23 g/mol
Exact Mass216.11
IUPAC Name2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine
SMILESCN(C)c1ccc(N)c(OCC(F)F)c1
InChIInChI=1S/C10H14F2N2O/c1-14(2)7-3-4-8(13)9(5-7)15-6-10(11)12/h3-5,10H,6,13H2,1-2H3
InChIKeyJYZDGLIRLIMRNH-UHFFFAOYSA-N
XLogP1.98
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.23
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-N,4-N-dimethyl-2-(3-methylbutoxy)benzene-1,4-diamine
CID 79588986
2-[2-amino-5-(dimethylamino)phenoxy]ethanol
CID 79589167
4-N,4-N-dimethyl-2-[2-(trifluoromethylsulfanyl)ethoxy]benzene-1,4-diamine
CID 116614847
3-[2-amino-5-(dimethylamino)phenoxy]propan-1-ol
CID 79588900
2-[(4-ethylphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589331
4-[2-amino-5-(dimethylamino)phenoxy]-2-methylbutan-2-ol
CID 79588662
ethyl 4-amino-3-(2,2-difluoroethoxy)benzoate
CID 82796062
4-N,4-N-dimethyl-2-(3-phenylpropoxy)benzene-1,4-diamine
CID 79588899
2-[(2-bromo-4-fluorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589078
3-amino-4-(2,2-difluoroethoxy)-N,N-dimethylbenzamide
CID 82992258
2-[(3-methoxyphenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589508
2-[(3-chlorophenyl)methoxy]-4-N,4-N-dimethylbenzene-1,4-diamine
CID 79589158

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine?
The IUPAC name of 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine (CID 79588821) is 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine.
What is the SMILES notation for 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine?
The canonical SMILES for 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine is CN(C)c1ccc(N)c(OCC(F)F)c1.
What is the InChIKey of 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine?
The InChIKey is JYZDGLIRLIMRNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F2N2O/c1-14(2)7-3-4-8(13)9(5-7)15-6-10(11)12/h3-5,10H,6,13H2,1-2H3.
What are the key properties of 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine?
2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine has a molecular weight of 216.23 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethoxy)-4-N,4-N-dimethylbenzene-1,4-diamine is sourced from PubChem (CID 79588821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).