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

C12H23F3N2O — CID 116535358

IUPAC6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h10,17H,2-9,16H2,1H3
InChIKeyRCQWLQVXMWRQRJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.20
Rot. Bonds7

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

6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (PubChem CID 116535358) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
PubChem CID116535358
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC Name6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine
SMILESCC(CN)(CCCC(F)(F)F)NCC1CCCO1
InChIInChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h10,17H,2-9,16H2,1H3
InChIKeyRCQWLQVXMWRQRJ-UHFFFAOYSA-N
XLogP2.20
TPSA47.28 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine with MolForge

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Related Compounds

1,2-Propanediamine, 2-methyl-N-(tetrahydrofurfuryl)-
CID 3057146
2-Ethyl-4-fluoro-2-(propan-2-yloxymethyl)pyrrolidine
CID 168942620
2-(Difluoromethyl)-2-(propan-2-yloxymethyl)pyrrolidine
CID 172328782
2-(Difluoromethyl)-2-(ethoxymethyl)pyrrolidine
CID 172329285
(2-Aminoethyl)[2,2,2-trifluoro-1-(oxolan-2-yl)ethyl]amine
CID 54594390
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55073725
N-[[5-(ethylaminomethyl)oxolan-2-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55073760
2-methyl-N-[[5-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-2-amine
CID 55073761
N-[[5-(methylaminomethyl)oxolan-2-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55073913
N-[[5-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-2-yl]methyl]propan-1-amine
CID 55074204
2-N-ethyl-2-N-(oxolan-2-ylmethyl)-1-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087708
1-N-(oxolan-2-ylmethyl)-2-N-propan-2-yl-2-N-(2,2,2-trifluoroethyl)propane-1,2-diamine
CID 55087752

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine (CID 116535358) is 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is CC(CN)(CCCC(F)(F)F)NCC1CCCO1.
What is the InChIKey of 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
The InChIKey is RCQWLQVXMWRQRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-11(9-16,5-3-6-12(13,14)15)17-8-10-4-2-7-18-10/h10,17H,2-9,16H2,1H3.
What are the key properties of 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine?
6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine has a molecular weight of 268.32 g/mol, XLogP of 2.20, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-methyl-2-N-(oxolan-2-ylmethyl)hexane-1,2-diamine is sourced from PubChem (CID 116535358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).