3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

C11H22F3NO — CID 115000103

IUPAC3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC(N)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-4-10(15,9(2)3)6-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyHOQIDGKVKLBQDD-UHFFFAOYSA-N
MW241.30 g/mol
LogP3.11
Rot. Bonds7

About 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine

3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (PubChem CID 115000103) has the molecular formula C11H22F3NO and a molecular weight of 241.30 g/mol. Its IUPAC name is 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.

Molecular Properties

Compound Name3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
PubChem CID115000103
Molecular FormulaC11H22F3NO
Molecular Weight241.30 g/mol
Exact Mass241.17
IUPAC Name3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
SMILESCCC(N)(CCCOCC(F)(F)F)C(C)C
InChIInChI=1S/C11H22F3NO/c1-4-10(15,9(2)3)6-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3
InChIKeyHOQIDGKVKLBQDD-UHFFFAOYSA-N
XLogP3.11
TPSA35.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.30
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 61490659
4-Methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62505373
2-Methyl-5-(2,2,2-trifluoroethoxy)pentan-2-amine
CID 62620155
3-Ethyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62621094
3-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 62622205
4-Methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 63562076
3-Methyl-1-(2,2,2-trifluoroethoxy)hexan-3-amine
CID 65019852
4-Methyl-1-(2,2,2-trifluoroethoxy)heptan-4-amine
CID 65020198
4-Ethyl-1-(2,2,2-trifluoroethoxy)octan-4-amine
CID 65020369
2,3-Dimethyl-6-(2,2,2-trifluoroethoxy)hexan-1-amine
CID 81010438
1-[2-(2,2-Difluoroethoxy)ethyl]-2-methylcyclopropan-1-amine
CID 103150686
2-Methyl-1-[2-(2,2,2-trifluoroethoxy)ethyl]cyclopropan-1-amine
CID 103150687

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The IUPAC name of 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine (CID 115000103) is 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine.
What is the SMILES notation for 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The canonical SMILES for 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is CCC(N)(CCCOCC(F)(F)F)C(C)C.
What is the InChIKey of 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
The InChIKey is HOQIDGKVKLBQDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22F3NO/c1-4-10(15,9(2)3)6-5-7-16-8-11(12,13)14/h9H,4-8,15H2,1-3H3.
What are the key properties of 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine?
3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine has a molecular weight of 241.30 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-2-methyl-6-(2,2,2-trifluoroethoxy)hexan-3-amine is sourced from PubChem (CID 115000103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).