3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride

C9H13Cl2F3N2 — CID 131637048

IUPAC3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
SMILESCN(C)c1cc(N)ccc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C9H11F3N2.2ClH/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12;;/h3-5H,13H2,1-2H3;2*1H
InChIKeyADOSXDXMLNSSLG-UHFFFAOYSA-N
MW277.12 g/mol
LogP3.20
Rot. Bonds1

About 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride

3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride (PubChem CID 131637048) has the molecular formula C9H13Cl2F3N2 and a molecular weight of 277.12 g/mol. Its IUPAC name is 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride.

Molecular Properties

Compound Name3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
PubChem CID131637048
Molecular FormulaC9H13Cl2F3N2
Molecular Weight277.12 g/mol
Exact Mass276.04
IUPAC Name3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride
SMILESCN(C)c1cc(N)ccc1C(F)(F)F.Cl.Cl
InChIInChI=1S/C9H11F3N2.2ClH/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12;;/h3-5H,13H2,1-2H3;2*1H
InChIKeyADOSXDXMLNSSLG-UHFFFAOYSA-N
XLogP3.20
TPSA29.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 53.20
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-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride?
The IUPAC name of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride (CID 131637048) is 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride.
What is the SMILES notation for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride?
The canonical SMILES for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride is CN(C)c1cc(N)ccc1C(F)(F)F.Cl.Cl.
What is the InChIKey of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride?
The InChIKey is ADOSXDXMLNSSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F3N2.2ClH/c1-14(2)8-5-6(13)3-4-7(8)9(10,11)12;;/h3-5H,13H2,1-2H3;2*1H.
What are the key properties of 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride?
3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride has a molecular weight of 277.12 g/mol, XLogP of 3.20, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,3-N-dimethyl-4-(trifluoromethyl)benzene-1,3-diamine;dihydrochloride is sourced from PubChem (CID 131637048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).