6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine

C9H18F3NO2 — CID 102927930

IUPAC6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
SMILESCOCCOCCC(N)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-6-7-15-5-3-8(13)2-4-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyQWLOAXSUJPMBPY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.71
Rot. Bonds8

About 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine

6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine (PubChem CID 102927930) has the molecular formula C9H18F3NO2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine.

Molecular Properties

Compound Name6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
PubChem CID102927930
Molecular FormulaC9H18F3NO2
Molecular Weight229.24 g/mol
Exact Mass229.13
IUPAC Name6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
SMILESCOCCOCCC(N)CCC(F)(F)F
InChIInChI=1S/C9H18F3NO2/c1-14-6-7-15-5-3-8(13)2-4-9(10,11)12/h8H,2-7,13H2,1H3
InChIKeyQWLOAXSUJPMBPY-UHFFFAOYSA-N
XLogP1.71
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.71
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-(3-Amino-6,6-difluoroheptoxy)ethanol
CID 163278111
N-butoxysulfanyl-6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine
CID 163278184
2-(3-Amino-6,6,6-trifluorohexoxy)ethanol
CID 163278325
1-[2-[Tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
CID 163278516
2-(3-Amino-6,6,6-trifluorohexoxy)ethanol;ethane
CID 163278622
6,6-Difluoro-1-(2-methoxyethoxy)heptan-3-amine
CID 163279016
(3S)-1-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-6,6,6-trifluorohexan-3-amine
CID 163279087
Ethane;1-ethoxy-1,1-difluoropentan-3-amine
CID 170584924
4,4,4-Trifluoro-3-(oxan-2-ylmethoxy)butan-1-amine
CID 43753311
6-(2,2,2-Trifluoroethoxy)hexan-3-amine
CID 61490622
1-(2,2,2-Trifluoroethoxy)hexan-3-amine
CID 62601642
6,6,6-Trifluoro-1-methoxyhexan-3-amine
CID 64567012

Frequently Asked Questions

What is the IUPAC name of 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine?
The IUPAC name of 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine (CID 102927930) is 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine.
What is the SMILES notation for 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine?
The canonical SMILES for 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine is COCCOCCC(N)CCC(F)(F)F.
What is the InChIKey of 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine?
The InChIKey is QWLOAXSUJPMBPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H18F3NO2/c1-14-6-7-15-5-3-8(13)2-4-9(10,11)12/h8H,2-7,13H2,1H3.
What are the key properties of 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine?
6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine has a molecular weight of 229.24 g/mol, XLogP of 1.71, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,6,6-trifluoro-1-(2-methoxyethoxy)hexan-3-amine is sourced from PubChem (CID 102927930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).