6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine

C11H22F3N3O — CID 116535406

IUPAC6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NN1CCOCC1
InChIInChI=1S/C11H22F3N3O/c1-10(9-15,3-2-4-11(12,13)14)16-17-5-7-18-8-6-17/h16H,2-9,15H2,1H3
InChIKeyZNAVVHOQDMJKID-UHFFFAOYSA-N
MW269.31 g/mol
LogP1.27
Rot. Bonds6

About 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine

6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine (PubChem CID 116535406) has the molecular formula C11H22F3N3O and a molecular weight of 269.31 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine
PubChem CID116535406
Molecular FormulaC11H22F3N3O
Molecular Weight269.31 g/mol
Exact Mass269.17
IUPAC Name6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NN1CCOCC1
InChIInChI=1S/C11H22F3N3O/c1-10(9-15,3-2-4-11(12,13)14)16-17-5-7-18-8-6-17/h16H,2-9,15H2,1H3
InChIKeyZNAVVHOQDMJKID-UHFFFAOYSA-N
XLogP1.27
TPSA50.52 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine (CID 116535406) is 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine is CC(CN)(CCCC(F)(F)F)NN1CCOCC1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine?
The InChIKey is ZNAVVHOQDMJKID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3N3O/c1-10(9-15,3-2-4-11(12,13)14)16-17-5-7-18-8-6-17/h16H,2-9,15H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine?
6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine has a molecular weight of 269.31 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-N-morpholin-4-ylhexane-1,2-diamine is sourced from PubChem (CID 116535406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).