N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

C11H21F3N2O — CID 55051447

IUPACN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H21F3N2O/c1-3-15-6-10(4-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyBSABXQBSRDPWHI-UHFFFAOYSA-N
MW254.30 g/mol
LogP1.50
Rot. Bonds6

About N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine

N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (PubChem CID 55051447) has the molecular formula C11H21F3N2O and a molecular weight of 254.30 g/mol. Its IUPAC name is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.

Molecular Properties

Compound NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
PubChem CID55051447
Molecular FormulaC11H21F3N2O
Molecular Weight254.30 g/mol
Exact Mass254.16
IUPAC NameN-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
SMILESCCNCC1(CN(C)CC(F)(F)F)CCOC1
InChIInChI=1S/C11H21F3N2O/c1-3-15-6-10(4-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3
InChIKeyBSABXQBSRDPWHI-UHFFFAOYSA-N
XLogP1.50
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.30
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The IUPAC name of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine (CID 55051447) is N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine.
What is the SMILES notation for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The canonical SMILES for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is CCNCC1(CN(C)CC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
The InChIKey is BSABXQBSRDPWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21F3N2O/c1-3-15-6-10(4-5-17-9-10)7-16(2)8-11(12,13)14/h15H,3-9H2,1-2H3.
What are the key properties of N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine?
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine has a molecular weight of 254.30 g/mol, XLogP of 1.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine is sourced from PubChem (CID 55051447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).