4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

C15H27F3N2O — CID 79912657

IUPAC4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN(CC(F)(F)F)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27F3N2O/c1-13(2)11(12(19-5)14(3,4)21-13)8-20(10-6-7-10)9-15(16,17)18/h10-12,19H,6-9H2,1-5H3
InChIKeyPZXCCYRCSSGECX-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.80
Rot. Bonds5

About 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine

4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (PubChem CID 79912657) has the molecular formula C15H27F3N2O and a molecular weight of 308.39 g/mol. Its IUPAC name is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.

Molecular Properties

Compound Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
PubChem CID79912657
Molecular FormulaC15H27F3N2O
Molecular Weight308.39 g/mol
Exact Mass308.21
IUPAC Name4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine
SMILESCNC1C(CN(CC(F)(F)F)C2CC2)C(C)(C)OC1(C)C
InChIInChI=1S/C15H27F3N2O/c1-13(2)11(12(19-5)14(3,4)21-13)8-20(10-6-7-10)9-15(16,17)18/h10-12,19H,6-9H2,1-5H3
InChIKeyPZXCCYRCSSGECX-UHFFFAOYSA-N
XLogP2.80
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.80
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,2,2,5,5-pentamethyloxolan-3-amine?
The IUPAC name of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine (CID 79912657) is 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine.
What is the SMILES notation for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The canonical SMILES for 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine is CNC1C(CN(CC(F)(F)F)C2CC2)C(C)(C)OC1(C)C.
What is the InChIKey of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
The InChIKey is PZXCCYRCSSGECX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27F3N2O/c1-13(2)11(12(19-5)14(3,4)21-13)8-20(10-6-7-10)9-15(16,17)18/h10-12,19H,6-9H2,1-5H3.
What are the key properties of 4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine?
4-[[cyclopropyl(2,2,2-trifluoroethyl)amino]methyl]-N,2,2,5,5-pentamethyloxolan-3-amine has a molecular weight of 308.39 g/mol, XLogP of 2.80, 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,2,2,5,5-pentamethyloxolan-3-amine is sourced from PubChem (CID 79912657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).