2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine

C12H22F3NO3 — CID 106706057

IUPAC2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C12H22F3NO3/c1-17-7-4-16-8-11(2-5-18-6-3-11)9-19-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyZQUFYSZFIRAGPQ-UHFFFAOYSA-N
MW285.31 g/mol
LogP1.60
Rot. Bonds8

About 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine

2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine (PubChem CID 106706057) has the molecular formula C12H22F3NO3 and a molecular weight of 285.31 g/mol. Its IUPAC name is 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine
PubChem CID106706057
Molecular FormulaC12H22F3NO3
Molecular Weight285.31 g/mol
Exact Mass285.16
IUPAC Name2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCOCC1
InChIInChI=1S/C12H22F3NO3/c1-17-7-4-16-8-11(2-5-18-6-3-11)9-19-10-12(13,14)15/h16H,2-10H2,1H3
InChIKeyZQUFYSZFIRAGPQ-UHFFFAOYSA-N
XLogP1.60
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.31
LogP ≤ 51.60
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

3,8-Dioxa-11-azaspiro(5.6)dodecane
CID 75480716
2-(oxan-4-ylmethoxy)-N-(2,2,2-trifluoroethyl)propan-1-amine
CID 55092895
2-ethyl-N-(2-methoxyethyl)-2-methyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 55111205
N-(oxan-4-ylmethyl)-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 55226813
2,2,2-trifluoro-N-[2-(oxan-4-ylmethoxy)ethyl]ethanamine
CID 62584029
2-ethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62718823
2-methoxy-N-[[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methyl]ethanamine
CID 62720307
N,2,2-triethyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723648
2-ethyl-2-methyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62723876
2,2-diethyl-N-propyl-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724048
2,2-diethyl-N-(2-methoxyethyl)-4-(2,2,2-trifluoroethoxy)butan-1-amine
CID 62724860
N-(2-methoxyethyl)-2-methyl-2-[2-(2,2,2-trifluoroethoxy)ethyl]pentan-1-amine
CID 62725424

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine?
The IUPAC name of 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine (CID 106706057) is 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine.
What is the SMILES notation for 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine?
The canonical SMILES for 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine is COCCNCC1(COCC(F)(F)F)CCOCC1.
What is the InChIKey of 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine?
The InChIKey is ZQUFYSZFIRAGPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO3/c1-17-7-4-16-8-11(2-5-18-6-3-11)9-19-10-12(13,14)15/h16H,2-10H2,1H3.
What are the key properties of 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine?
2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine has a molecular weight of 285.31 g/mol, XLogP of 1.60, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[[4-(2,2,2-trifluoroethoxymethyl)oxan-4-yl]methyl]ethanamine is sourced from PubChem (CID 106706057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).