2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride

C5H12ClF3N2 — CID 19902644

IUPAC2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride
SMILESCC(CN)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H11F3N2.ClH/c1-4(2-9,3-10)5(6,7)8;/h2-3,9-10H2,1H3;1H
InChIKeyNAZSCBWRBDDPJN-UHFFFAOYSA-N
MW192.61 g/mol
LogP0.89
Rot. Bonds2

About 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride

2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride (PubChem CID 19902644) has the molecular formula C5H12ClF3N2 and a molecular weight of 192.61 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride
PubChem CID19902644
Molecular FormulaC5H12ClF3N2
Molecular Weight192.61 g/mol
Exact Mass192.06
IUPAC Name2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride
SMILESCC(CN)(CN)C(F)(F)F.Cl
InChIInChI=1S/C5H11F3N2.ClH/c1-4(2-9,3-10)5(6,7)8;/h2-3,9-10H2,1H3;1H
InChIKeyNAZSCBWRBDDPJN-UHFFFAOYSA-N
XLogP0.89
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.61
LogP ≤ 50.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride?
The IUPAC name of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride (CID 19902644) is 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride is CC(CN)(CN)C(F)(F)F.Cl.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride?
The InChIKey is NAZSCBWRBDDPJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2.ClH/c1-4(2-9,3-10)5(6,7)8;/h2-3,9-10H2,1H3;1H.
What are the key properties of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride?
2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride has a molecular weight of 192.61 g/mol, XLogP of 0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(trifluoromethyl)propane-1,3-diamine;hydrochloride is sourced from PubChem (CID 19902644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).