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

C11H19F3N2O — CID 66246565

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c1-15-10-6-17-5-8(10)4-16(9-2-3-9)7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyXZMQYMZNSQAONI-UHFFFAOYSA-N
MW252.28 g/mol
LogP1.25
Rot. Bonds5

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

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine (PubChem CID 66246565) has the molecular formula C11H19F3N2O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine
PubChem CID66246565
Molecular FormulaC11H19F3N2O
Molecular Weight252.28 g/mol
Exact Mass252.14
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine
SMILESCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C11H19F3N2O/c1-15-10-6-17-5-8(10)4-16(9-2-3-9)7-11(12,13)14/h8-10,15H,2-7H2,1H3
InChIKeyXZMQYMZNSQAONI-UHFFFAOYSA-N
XLogP1.25
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine (CID 66246565) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine is CNC1COCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine?
The InChIKey is XZMQYMZNSQAONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F3N2O/c1-15-10-6-17-5-8(10)4-16(9-2-3-9)7-11(12,13)14/h8-10,15H,2-7H2,1H3.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine has a molecular weight of 252.28 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-methyloxolan-3-amine is sourced from PubChem (CID 66246565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).