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

C12H21F3N2O — CID 66258381

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-2-16-11-7-18-6-9(11)5-17(10-3-4-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyRERXTXXMKICCBU-UHFFFAOYSA-N
MW266.31 g/mol
LogP1.64
Rot. Bonds6

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

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine (PubChem CID 66258381) has the molecular formula C12H21F3N2O and a molecular weight of 266.31 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine
PubChem CID66258381
Molecular FormulaC12H21F3N2O
Molecular Weight266.31 g/mol
Exact Mass266.16
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine
SMILESCCNC1COCC1CN(CC(F)(F)F)C1CC1
InChIInChI=1S/C12H21F3N2O/c1-2-16-11-7-18-6-9(11)5-17(10-3-4-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3
InChIKeyRERXTXXMKICCBU-UHFFFAOYSA-N
XLogP1.64
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.31
LogP ≤ 51.64
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-ethyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine (CID 66258381) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine is CCNC1COCC1CN(CC(F)(F)F)C1CC1.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine?
The InChIKey is RERXTXXMKICCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F3N2O/c1-2-16-11-7-18-6-9(11)5-17(10-3-4-10)8-12(13,14)15/h9-11,16H,2-8H2,1H3.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N-ethyloxolan-3-amine has a molecular weight of 266.31 g/mol, XLogP of 1.64, 6 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-ethyloxolan-3-amine is sourced from PubChem (CID 66258381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).