N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

C9H17F3N2O — CID 66246362

IUPACN-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-8-5-15-4-7(8)3-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyQFXWDWUXFZQAAQ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.71
Rot. Bonds4

About N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine

N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (PubChem CID 66246362) has the molecular formula C9H17F3N2O and a molecular weight of 226.24 g/mol. Its IUPAC name is N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.

Molecular Properties

Compound NameN-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
PubChem CID66246362
Molecular FormulaC9H17F3N2O
Molecular Weight226.24 g/mol
Exact Mass226.13
IUPAC NameN-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine
SMILESCNC1COCC1CN(C)CC(F)(F)F
InChIInChI=1S/C9H17F3N2O/c1-13-8-5-15-4-7(8)3-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3
InChIKeyQFXWDWUXFZQAAQ-UHFFFAOYSA-N
XLogP0.71
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

rac-(3R,4R)-4-(aminomethyl)-N,N-dimethyloxolan-3-amine
CID 130824085
4-[ethoxy(difluoro)methyl]-N-methylpyrrolidin-3-amine
CID 166796955
2-methyl-4-[2-[methyl(propyl)amino]ethoxy]-N-(2,2,2-trifluoroethyl)butan-1-amine
CID 169692672
N-[(1-ethylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961701
N-[(1-cyclopropylpyrrolidin-3-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 54961802
N-[(1-ethylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961971
N-[(1-methylpyrrolidin-3-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54961972
1-N,1-N,3-trimethyl-2-N-[2-(2,2,2-trifluoroethoxy)ethyl]butane-1,2-diamine
CID 54962069
N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoro-N-methylethanamine
CID 55051447
2-methyl-N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
CID 55051448
N-ethyl-N-[[3-(ethylaminomethyl)oxolan-3-yl]methyl]-2,2,2-trifluoroethanamine
CID 55055941
N-[[3-(aminomethyl)oxolan-3-yl]methyl]-N-(2,2,2-trifluoroethyl)propan-2-amine
CID 55056514

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The IUPAC name of N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine (CID 66246362) is N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine.
What is the SMILES notation for N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The canonical SMILES for N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is CNC1COCC1CN(C)CC(F)(F)F.
What is the InChIKey of N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
The InChIKey is QFXWDWUXFZQAAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F3N2O/c1-13-8-5-15-4-7(8)3-14(2)6-9(10,11)12/h7-8,13H,3-6H2,1-2H3.
What are the key properties of N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine?
N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-amine is sourced from PubChem (CID 66246362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).