N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine

C14H24F3NO3 — CID 106706221

IUPACN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C14H24F3NO3/c1-19-7-5-18-8-13(9-20-10-14(15,16)17)4-6-21-12(13)11-2-3-11/h11-12,18H,2-10H2,1H3
InChIKeyWWVMZFUAAUMDEC-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.99
Rot. Bonds9

About N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine

N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine (PubChem CID 106706221) has the molecular formula C14H24F3NO3 and a molecular weight of 311.34 g/mol. Its IUPAC name is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine.

Molecular Properties

Compound NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine
PubChem CID106706221
Molecular FormulaC14H24F3NO3
Molecular Weight311.34 g/mol
Exact Mass311.17
IUPAC NameN-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine
SMILESCOCCNCC1(COCC(F)(F)F)CCOC1C1CC1
InChIInChI=1S/C14H24F3NO3/c1-19-7-5-18-8-13(9-20-10-14(15,16)17)4-6-21-12(13)11-2-3-11/h11-12,18H,2-10H2,1H3
InChIKeyWWVMZFUAAUMDEC-UHFFFAOYSA-N
XLogP1.99
TPSA39.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.99
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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Frequently Asked Questions

What is the IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The IUPAC name of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine (CID 106706221) is N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine.
What is the SMILES notation for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The canonical SMILES for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine is COCCNCC1(COCC(F)(F)F)CCOC1C1CC1.
What is the InChIKey of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
The InChIKey is WWVMZFUAAUMDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24F3NO3/c1-19-7-5-18-8-13(9-20-10-14(15,16)17)4-6-21-12(13)11-2-3-11/h11-12,18H,2-10H2,1H3.
What are the key properties of N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine?
N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine has a molecular weight of 311.34 g/mol, XLogP of 1.99, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-cyclopropyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]-2-methoxyethanamine is sourced from PubChem (CID 106706221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).