2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine

C6H13F3N2 — CID 162540900

IUPAC2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine
SMILESCNC(C)(C)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-5(2,10-3)11-4-6(7,8)9/h10-11H,4H2,1-3H3
InChIKeyKKVLEWNAYMVPAH-UHFFFAOYSA-N
MW170.18 g/mol
LogP1.09
Rot. Bonds3

About 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine

2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine (PubChem CID 162540900) has the molecular formula C6H13F3N2 and a molecular weight of 170.18 g/mol. Its IUPAC name is 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine.

Molecular Properties

Compound Name2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine
PubChem CID162540900
Molecular FormulaC6H13F3N2
Molecular Weight170.18 g/mol
Exact Mass170.10
IUPAC Name2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine
SMILESCNC(C)(C)NCC(F)(F)F
InChIInChI=1S/C6H13F3N2/c1-5(2,10-3)11-4-6(7,8)9/h10-11H,4H2,1-3H3
InChIKeyKKVLEWNAYMVPAH-UHFFFAOYSA-N
XLogP1.09
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.18
LogP ≤ 51.09
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 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine?
The IUPAC name of 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine (CID 162540900) is 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine.
What is the SMILES notation for 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine?
The canonical SMILES for 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine is CNC(C)(C)NCC(F)(F)F.
What is the InChIKey of 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine?
The InChIKey is KKVLEWNAYMVPAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H13F3N2/c1-5(2,10-3)11-4-6(7,8)9/h10-11H,4H2,1-3H3.
What are the key properties of 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine?
2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine has a molecular weight of 170.18 g/mol, XLogP of 1.09, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-methyl-2-N'-(2,2,2-trifluoroethyl)propane-2,2-diamine is sourced from PubChem (CID 162540900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).