2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine

C10H20F3NO3 — CID 103175857

IUPAC2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine
SMILESCOCCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO3/c1-15-4-2-5-16-7-8-17-6-3-14-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyPJMMFKXTUJZLCT-UHFFFAOYSA-N
MW259.27 g/mol
LogP1.21
Rot. Bonds11

About 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine

2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine (PubChem CID 103175857) has the molecular formula C10H20F3NO3 and a molecular weight of 259.27 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine
PubChem CID103175857
Molecular FormulaC10H20F3NO3
Molecular Weight259.27 g/mol
Exact Mass259.14
IUPAC Name2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine
SMILESCOCCCOCCOCCNCC(F)(F)F
InChIInChI=1S/C10H20F3NO3/c1-15-4-2-5-16-7-8-17-6-3-14-9-10(11,12)13/h14H,2-9H2,1H3
InChIKeyPJMMFKXTUJZLCT-UHFFFAOYSA-N
XLogP1.21
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2,2,2-trifluoro-N-(2-propoxyethyl)ethanamine
CID 62582651
2-ethoxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 65806235
{2-[2-(2-Fluoroethoxy)ethoxy]ethyl}(methyl)amine
CID 89034998
2-propan-2-yloxy-N-[2-(trifluoromethoxy)ethyl]ethanamine
CID 104760288
2,2,2-trifluoro-N-[2-(2-propoxyethoxy)ethyl]acetamide
CID 117790512
1,1-Difluoro-2-[(2-propoxyethylamino)methoxy]ethanol
CID 131993602
N-(2,2-difluoroethoxymethyl)-2-propoxyethanamine
CID 131993604
N-[2-[2-(2-aminoethoxy)ethoxy]ethyl]-2,2,2-trifluoroethanamine
CID 135213114
N-[2-[2-[2-(tert-butylamino)-2,2-difluoroethoxy]-2,2-difluoroethoxy]-2,2-difluoroethyl]-2-methylpropan-2-amine
CID 138467557
N-[2-(2-butoxyethoxy)ethyl]-1,1,1-trifluoropropan-2-amine
CID 142616241
1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155582675
ethane;1,2,2,2-tetrafluoro-N-[2-(2-propoxyethoxy)ethyl]ethanamine
CID 155706892

Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine?
The IUPAC name of 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine (CID 103175857) is 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine.
What is the SMILES notation for 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine?
The canonical SMILES for 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine is COCCCOCCOCCNCC(F)(F)F.
What is the InChIKey of 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine?
The InChIKey is PJMMFKXTUJZLCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20F3NO3/c1-15-4-2-5-16-7-8-17-6-3-14-9-10(11,12)13/h14H,2-9H2,1H3.
What are the key properties of 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine?
2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine has a molecular weight of 259.27 g/mol, XLogP of 1.21, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[2-[2-(3-methoxypropoxy)ethoxy]ethyl]ethanamine is sourced from PubChem (CID 103175857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).