6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine

C13H27F3N2O — CID 116535394

IUPAC6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
SMILESCC(C)OCCN(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-11(2)19-9-8-18(4)12(3,10-17)6-5-7-13(14,15)16/h11H,5-10,17H2,1-4H3
InChIKeyUATMBCATPUQIEF-UHFFFAOYSA-N
MW284.37 g/mol
LogP2.79
Rot. Bonds9

About 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine

6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine (PubChem CID 116535394) has the molecular formula C13H27F3N2O and a molecular weight of 284.37 g/mol. Its IUPAC name is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine.

Molecular Properties

Compound Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
PubChem CID116535394
Molecular FormulaC13H27F3N2O
Molecular Weight284.37 g/mol
Exact Mass284.21
IUPAC Name6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine
SMILESCC(C)OCCN(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C13H27F3N2O/c1-11(2)19-9-8-18(4)12(3,10-17)6-5-7-13(14,15)16/h11H,5-10,17H2,1-4H3
InChIKeyUATMBCATPUQIEF-UHFFFAOYSA-N
XLogP2.79
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine with MolForge

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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-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The IUPAC name of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine (CID 116535394) is 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine.
What is the SMILES notation for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The canonical SMILES for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine is CC(C)OCCN(C)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
The InChIKey is UATMBCATPUQIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H27F3N2O/c1-11(2)19-9-8-18(4)12(3,10-17)6-5-7-13(14,15)16/h11H,5-10,17H2,1-4H3.
What are the key properties of 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine?
6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine has a molecular weight of 284.37 g/mol, XLogP of 2.79, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)hexane-1,2-diamine is sourced from PubChem (CID 116535394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).