4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine

C9H13F2N3 — CID 106751196

IUPAC4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCN(CC(F)F)c1ccc(N)c(N)c1
InChIInChI=1S/C9H13F2N3/c1-14(5-9(10)11)6-2-3-7(12)8(13)4-6/h2-4,9H,5,12-13H2,1H3
InChIKeyZAHUXQOVSTZJAX-UHFFFAOYSA-N
MW201.22 g/mol
LogP1.55
Rot. Bonds3

About 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine

4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine (PubChem CID 106751196) has the molecular formula C9H13F2N3 and a molecular weight of 201.22 g/mol. Its IUPAC name is 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine.

Molecular Properties

Compound Name4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine
PubChem CID106751196
Molecular FormulaC9H13F2N3
Molecular Weight201.22 g/mol
Exact Mass201.11
IUPAC Name4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine
SMILESCN(CC(F)F)c1ccc(N)c(N)c1
InChIInChI=1S/C9H13F2N3/c1-14(5-9(10)11)6-2-3-7(12)8(13)4-6/h2-4,9H,5,12-13H2,1H3
InChIKeyZAHUXQOVSTZJAX-UHFFFAOYSA-N
XLogP1.55
TPSA55.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.22
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[2-amino-5-[2,2-difluoroethyl(methyl)amino]phenyl]acetonitrile
CID 102624712
4-N-methyl-4-N-(3-methylbutyl)benzene-1,2,4-triamine
CID 106750518
4-N-(2,2-dimethylpropyl)-4-N-methylbenzene-1,2,4-triamine
CID 106750670
4-N-butyl-4-N-methylbenzene-1,2,4-triamine
CID 106750191
4-N-methyl-4-N-pentylbenzene-1,2,4-triamine
CID 106750383
4-N-(2-ethoxyethyl)-4-N-methylbenzene-1,2,4-triamine
CID 106751027
(1R)-1-[5-[2,2-difluoroethyl(methyl)amino]-2-pyridinyl]ethanol
CID 104871019
2-amino-5-[methyl(2-methylpropyl)amino]benzonitrile
CID 115499082
4-N-[2-(dimethylamino)ethyl]-4-N-propylbenzene-1,2,4-triamine
CID 106750685
1-(4-amino-3-methoxy-N-methylanilino)-3-methoxypropan-2-ol
CID 63676060
3-(3-amino-N,4-dimethylanilino)-2-methylpropanenitrile
CID 62912327
3-chloro-4-[(cyclopropylamino)methyl]-N-(2,2-difluoroethyl)-N-methylaniline
CID 114064733

Frequently Asked Questions

What is the IUPAC name of 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine?
The IUPAC name of 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine (CID 106751196) is 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine.
What is the SMILES notation for 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine?
The canonical SMILES for 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine is CN(CC(F)F)c1ccc(N)c(N)c1.
What is the InChIKey of 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine?
The InChIKey is ZAHUXQOVSTZJAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13F2N3/c1-14(5-9(10)11)6-2-3-7(12)8(13)4-6/h2-4,9H,5,12-13H2,1H3.
What are the key properties of 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine?
4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine has a molecular weight of 201.22 g/mol, XLogP of 1.55, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2,2-difluoroethyl)-4-N-methylbenzene-1,2,4-triamine is sourced from PubChem (CID 106751196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).