3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride

C4H11Cl2F3N2 — CID 175563996

IUPAC3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride
SMILESCC(C(N)N)C(F)(F)F.Cl.Cl
InChIInChI=1S/C4H9F3N2.2ClH/c1-2(3(8)9)4(5,6)7;;/h2-3H,8-9H2,1H3;2*1H
InChIKeyJTUYHHJPSQPYLX-UHFFFAOYSA-N
MW215.05 g/mol
LogP1.27
Rot. Bonds1

About 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride

3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride (PubChem CID 175563996) has the molecular formula C4H11Cl2F3N2 and a molecular weight of 215.05 g/mol. Its IUPAC name is 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride.

Molecular Properties

Compound Name3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride
PubChem CID175563996
Molecular FormulaC4H11Cl2F3N2
Molecular Weight215.05 g/mol
Exact Mass214.03
IUPAC Name3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride
SMILESCC(C(N)N)C(F)(F)F.Cl.Cl
InChIInChI=1S/C4H9F3N2.2ClH/c1-2(3(8)9)4(5,6)7;;/h2-3H,8-9H2,1H3;2*1H
InChIKeyJTUYHHJPSQPYLX-UHFFFAOYSA-N
XLogP1.27
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.05
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride?
The IUPAC name of 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride (CID 175563996) is 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride.
What is the SMILES notation for 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride?
The canonical SMILES for 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride is CC(C(N)N)C(F)(F)F.Cl.Cl.
What is the InChIKey of 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride?
The InChIKey is JTUYHHJPSQPYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H9F3N2.2ClH/c1-2(3(8)9)4(5,6)7;;/h2-3H,8-9H2,1H3;2*1H.
What are the key properties of 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride?
3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride has a molecular weight of 215.05 g/mol, XLogP of 1.27, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-2-methylpropane-1,1-diamine;dihydrochloride is sourced from PubChem (CID 175563996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).