6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine

C13H27F3N2O2 — CID 116535172

IUPAC6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine
SMILESCOCCN(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H27F3N2O2/c1-12(11-17,5-4-6-13(14,15)16)18(7-9-19-2)8-10-20-3/h4-11,17H2,1-3H3
InChIKeyGSMCGAYQFMEORK-UHFFFAOYSA-N
MW300.37 g/mol
LogP2.03
Rot. Bonds11

About 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine

6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine (PubChem CID 116535172) has the molecular formula C13H27F3N2O2 and a molecular weight of 300.37 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine
PubChem CID116535172
Molecular FormulaC13H27F3N2O2
Molecular Weight300.37 g/mol
Exact Mass300.20
IUPAC Name6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine
SMILESCOCCN(CCOC)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H27F3N2O2/c1-12(11-17,5-4-6-13(14,15)16)18(7-9-19-2)8-10-20-3/h4-11,17H2,1-3H3
InChIKeyGSMCGAYQFMEORK-UHFFFAOYSA-N
XLogP2.03
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-N,1-N,4-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]pentane-1,2-diamine
CID 54963578
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62004510
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62005068
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclohexan-1-amine
CID 62006009
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62007526
2-N,2-diethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008593
2-ethyl-2-N-propyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008602
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62008728
1-(aminomethyl)-N-ethyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008736
1-(aminomethyl)-N-propyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopentan-1-amine
CID 62008940
2-N-ethyl-2-methyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 62008967
1-(aminomethyl)-N-methyl-N-[2-(2,2,2-trifluoroethoxy)ethyl]cycloheptan-1-amine
CID 62009113

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine (CID 116535172) is 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine is COCCN(CCOC)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine?
The InChIKey is GSMCGAYQFMEORK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O2/c1-12(11-17,5-4-6-13(14,15)16)18(7-9-19-2)8-10-20-3/h4-11,17H2,1-3H3.
What are the key properties of 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine?
6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine has a molecular weight of 300.37 g/mol, XLogP of 2.03, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N,2-N-bis(2-methoxyethyl)-2-methylhexane-1,2-diamine is sourced from PubChem (CID 116535172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).