6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine

C11H23F3N2 — CID 116535341

IUPAC6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCC(C)CNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)7-16-10(3,8-15)5-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyMKLXZAANTXFBFS-UHFFFAOYSA-N
MW240.31 g/mol
LogP2.68
Rot. Bonds7

About 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine

6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine (PubChem CID 116535341) has the molecular formula C11H23F3N2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
PubChem CID116535341
Molecular FormulaC11H23F3N2
Molecular Weight240.31 g/mol
Exact Mass240.18
IUPAC Name6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine
SMILESCC(C)CNC(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C11H23F3N2/c1-9(2)7-16-10(3,8-15)5-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3
InChIKeyMKLXZAANTXFBFS-UHFFFAOYSA-N
XLogP2.68
TPSA38.05 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine (CID 116535341) is 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine is CC(C)CNC(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
The InChIKey is MKLXZAANTXFBFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H23F3N2/c1-9(2)7-16-10(3,8-15)5-4-6-11(12,13)14/h9,16H,4-8,15H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine?
6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine has a molecular weight of 240.31 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-N-(2-methylpropyl)hexane-1,2-diamine is sourced from PubChem (CID 116535341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).