2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C10H19F3N2O — CID 82753840

IUPAC2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCOC1
InChIInChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyTZXQWTUFURCUFY-UHFFFAOYSA-N
MW240.27 g/mol
LogP1.25
Rot. Bonds5

About 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 82753840) has the molecular formula C10H19F3N2O and a molecular weight of 240.27 g/mol. Its IUPAC name is 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID82753840
Molecular FormulaC10H19F3N2O
Molecular Weight240.27 g/mol
Exact Mass240.14
IUPAC Name2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCC(CNCC(F)(F)F)N(C)C1CCOC1
InChIInChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3
InChIKeyTZXQWTUFURCUFY-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 82753840) is 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CC(CNCC(F)(F)F)N(C)C1CCOC1.
What is the InChIKey of 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is TZXQWTUFURCUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O/c1-8(5-14-7-10(11,12)13)15(2)9-3-4-16-6-9/h8-9,14H,3-7H2,1-2H3.
What are the key properties of 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 240.27 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N-(oxolan-3-yl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 82753840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).