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

C5H11F3N2 — CID 19902636

IUPAC2-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCC(CN)(CN)C(F)(F)F
InChIInChI=1S/C5H11F3N2/c1-4(2-9,3-10)5(6,7)8/h2-3,9-10H2,1H3
InChIKeyDNPHYWAVUAUVED-UHFFFAOYSA-N
MW156.15 g/mol
LogP0.47
Rot. Bonds2

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

2-methyl-2-(trifluoromethyl)propane-1,3-diamine (PubChem CID 19902636) has the molecular formula C5H11F3N2 and a molecular weight of 156.15 g/mol. Its IUPAC name is 2-methyl-2-(trifluoromethyl)propane-1,3-diamine.

Molecular Properties

Compound Name2-methyl-2-(trifluoromethyl)propane-1,3-diamine
PubChem CID19902636
Molecular FormulaC5H11F3N2
Molecular Weight156.15 g/mol
Exact Mass156.09
IUPAC Name2-methyl-2-(trifluoromethyl)propane-1,3-diamine
SMILESCC(CN)(CN)C(F)(F)F
InChIInChI=1S/C5H11F3N2/c1-4(2-9,3-10)5(6,7)8/h2-3,9-10H2,1H3
InChIKeyDNPHYWAVUAUVED-UHFFFAOYSA-N
XLogP0.47
TPSA52.04 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.15
LogP ≤ 50.47
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?
The IUPAC name of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine (CID 19902636) is 2-methyl-2-(trifluoromethyl)propane-1,3-diamine.
What is the SMILES notation for 2-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The canonical SMILES for 2-methyl-2-(trifluoromethyl)propane-1,3-diamine is CC(CN)(CN)C(F)(F)F.
What is the InChIKey of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine?
The InChIKey is DNPHYWAVUAUVED-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11F3N2/c1-4(2-9,3-10)5(6,7)8/h2-3,9-10H2,1H3.
What are the key properties of 2-methyl-2-(trifluoromethyl)propane-1,3-diamine?
2-methyl-2-(trifluoromethyl)propane-1,3-diamine has a molecular weight of 156.15 g/mol, XLogP of 0.47, 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 is sourced from PubChem (CID 19902636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).