[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine

C9H17F3N2O2 — CID 83096048

IUPAC[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-4-2-14-1-3-15-6-8(14)5-13/h8H,1-7,13H2
InChIKeyPUQGVTZUGJJPLM-UHFFFAOYSA-N
MW242.24 g/mol
LogP0.22
Rot. Bonds5

About [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine

[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine (PubChem CID 83096048) has the molecular formula C9H17F3N2O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine.

Molecular Properties

Compound Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine
PubChem CID83096048
Molecular FormulaC9H17F3N2O2
Molecular Weight242.24 g/mol
Exact Mass242.12
IUPAC Name[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine
SMILESNCC1COCCN1CCOCC(F)(F)F
InChIInChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-4-2-14-1-3-15-6-8(14)5-13/h8H,1-7,13H2
InChIKeyPUQGVTZUGJJPLM-UHFFFAOYSA-N
XLogP0.22
TPSA47.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 50.22
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-(3-Methylmorpholin-4-yl)propan-1-amine
CID 43541860
1-Methoxy-3-(morpholin-4-yl)propan-2-amine
CID 81102361
4,4-Difluoro-3-(morpholin-4-yl)butan-1-amine
CID 137698858
3-(2,6-Dimethylmorpholin-4-yl)-4,4,4-trifluorobutan-2-amine
CID 61647279
(2-Morpholin-4-ylethyl)(2,2,2-trifluoroethyl)amine
CID 28583018
2,2,3,3-tetrafluoro-N-(2-morpholin-4-ylethyl)propan-1-amine
CID 29005203
(2,2-Difluoroethyl)[2-(morpholin-4-yl)ethyl]amine
CID 50896662
1-[2-(2,2,2-Trifluoroethoxy)ethyl]piperazine
CID 61492658
3-[(3,3-Difluoropyrrolidin-1-yl)methyl]morpholine
CID 116991609
1-[2-(1,1-Difluoroethoxy)ethyl]piperazine
CID 144612190
4-(1,3-difluoropropan-2-yl)-N-methylmorpholin-2-amine
CID 152449269
(3R)-3-[(3,3-difluoropyrrolidin-1-yl)methyl]morpholine
CID 155100855

Frequently Asked Questions

What is the IUPAC name of [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine?
The IUPAC name of [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine (CID 83096048) is [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine.
What is the SMILES notation for [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine?
The canonical SMILES for [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine is NCC1COCCN1CCOCC(F)(F)F.
What is the InChIKey of [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine?
The InChIKey is PUQGVTZUGJJPLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O2/c10-9(11,12)7-16-4-2-14-1-3-15-6-8(14)5-13/h8H,1-7,13H2.
What are the key properties of [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine?
[4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine has a molecular weight of 242.24 g/mol, XLogP of 0.22, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(2,2,2-trifluoroethoxy)ethyl]morpholin-3-yl]methanamine is sourced from PubChem (CID 83096048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).