N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine

C10H18F3NO2 — CID 62720272

IUPACN-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESCNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c1-14-6-9(2-4-15-7-9)3-5-16-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeySHSQNAXCMZLGSL-UHFFFAOYSA-N
MW241.25 g/mol
LogP1.58
Rot. Bonds6

About N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine

N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (PubChem CID 62720272) has the molecular formula C10H18F3NO2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
PubChem CID62720272
Molecular FormulaC10H18F3NO2
Molecular Weight241.25 g/mol
Exact Mass241.13
IUPAC NameN-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine
SMILESCNCC1(CCOCC(F)(F)F)CCOC1
InChIInChI=1S/C10H18F3NO2/c1-14-6-9(2-4-15-7-9)3-5-16-8-10(11,12)13/h14H,2-8H2,1H3
InChIKeySHSQNAXCMZLGSL-UHFFFAOYSA-N
XLogP1.58
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 51.58
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The IUPAC name of N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine (CID 62720272) is N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine.
What is the SMILES notation for N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The canonical SMILES for N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is CNCC1(CCOCC(F)(F)F)CCOC1.
What is the InChIKey of N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
The InChIKey is SHSQNAXCMZLGSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18F3NO2/c1-14-6-9(2-4-15-7-9)3-5-16-8-10(11,12)13/h14H,2-8H2,1H3.
What are the key properties of N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine?
N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine has a molecular weight of 241.25 g/mol, XLogP of 1.58, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-[3-[2-(2,2,2-trifluoroethoxy)ethyl]oxolan-3-yl]methanamine is sourced from PubChem (CID 62720272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).