2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

C11H23F3N2 — CID 62558170

IUPAC2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CCC)C(C)CNCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-6-16(7-5-2)10(3)8-15-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyMAPPASWNLJYJQI-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.65
Rot. Bonds8

About 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine

2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (PubChem CID 62558170) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.

Molecular Properties

Compound Name2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
PubChem CID62558170
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
SMILESCCCN(CCC)C(C)CNCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-4-6-16(7-5-2)10(3)8-15-9-11(12,13)14/h10,15H,4-9H2,1-3H3
InChIKeyMAPPASWNLJYJQI-UHFFFAOYSA-N
XLogP2.65
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The IUPAC name of 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine (CID 62558170) is 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine.
What is the SMILES notation for 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The canonical SMILES for 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is CCCN(CCC)C(C)CNCC(F)(F)F.
What is the InChIKey of 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
The InChIKey is MAPPASWNLJYJQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-4-6-16(7-5-2)10(3)8-15-9-11(12,13)14/h10,15H,4-9H2,1-3H3.
What are the key properties of 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine?
2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.65, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,2-N-dipropyl-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine is sourced from PubChem (CID 62558170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).