2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine

C12H25F3N2O — CID 116535393

IUPAC2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
SMILESCCOCCN(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-18-9-8-17(3)11(2,10-16)6-5-7-12(13,14)15/h4-10,16H2,1-3H3
InChIKeyQWBCDGQDWDTCSQ-UHFFFAOYSA-N
MW270.34 g/mol
LogP2.40
Rot. Bonds9

About 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine

2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine (PubChem CID 116535393) has the molecular formula C12H25F3N2O and a molecular weight of 270.34 g/mol. Its IUPAC name is 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine.

Molecular Properties

Compound Name2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
PubChem CID116535393
Molecular FormulaC12H25F3N2O
Molecular Weight270.34 g/mol
Exact Mass270.19
IUPAC Name2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine
SMILESCCOCCN(C)C(C)(CN)CCCC(F)(F)F
InChIInChI=1S/C12H25F3N2O/c1-4-18-9-8-17(3)11(2,10-16)6-5-7-12(13,14)15/h4-10,16H2,1-3H3
InChIKeyQWBCDGQDWDTCSQ-UHFFFAOYSA-N
XLogP2.40
TPSA38.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.34
LogP ≤ 52.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2-ethoxyethyl)-2-fluoropropane-1,3-diamine
CID 122239772
2-N-(2-ethoxyethyl)-2-N-ethyl-2-methylheptane-1,2-diamine
CID 80557289
2-N,2-dimethyl-2-N-[3-(2,2,2-trifluoroethoxy)propyl]butane-1,2-diamine
CID 62010380
6,6,6-trifluoro-2-N-(2-methoxyethyl)-2-methyl-2-N-pentan-3-ylhexane-1,2-diamine
CID 116535238
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)heptane-1,2-diamine
CID 81059026
2-N,2-dimethyl-2-N-pentylnonane-1,2-diamine
CID 43294671
2-N-butyl-2-N,2-dimethylnonane-1,2-diamine
CID 43089517
2-N,2-dimethyl-2-N-[2-(2-methylpropoxy)ethyl]butane-1,2-diamine
CID 106450923
2-N,2-dimethyl-2-N-(2-propan-2-yloxyethyl)pentane-1,2-diamine
CID 81059114
2-N-[2-(dimethylamino)ethyl]-2-N,2-dimethylnonane-1,2-diamine
CID 55227526
6,6,6-trifluoro-2-N,2-dimethyl-2-N-[(1-methylpyrazol-4-yl)methyl]hexane-1,2-diamine
CID 116535205
1-ethoxy-7,7,7-trifluoroheptan-3-amine
CID 105174475

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine?
The IUPAC name of 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine (CID 116535393) is 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine.
What is the SMILES notation for 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine?
The canonical SMILES for 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine is CCOCCN(C)C(C)(CN)CCCC(F)(F)F.
What is the InChIKey of 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine?
The InChIKey is QWBCDGQDWDTCSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H25F3N2O/c1-4-18-9-8-17(3)11(2,10-16)6-5-7-12(13,14)15/h4-10,16H2,1-3H3.
What are the key properties of 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine?
2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine has a molecular weight of 270.34 g/mol, XLogP of 2.40, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-ethoxyethyl)-6,6,6-trifluoro-2-N,2-dimethylhexane-1,2-diamine is sourced from PubChem (CID 116535393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).