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

C12H23F3N2O — CID 62256694

IUPACN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CC(F)(F)F)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)16-6-11(4-5-18-9-11)7-17(3)8-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyFDOXCFHCBUNDKB-UHFFFAOYSA-N
MW268.32 g/mol
LogP1.89
Rot. Bonds6

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

N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (PubChem CID 62256694) has the molecular formula C12H23F3N2O and a molecular weight of 268.32 g/mol. Its IUPAC name is N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
PubChem CID62256694
Molecular FormulaC12H23F3N2O
Molecular Weight268.32 g/mol
Exact Mass268.18
IUPAC NameN-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(CN(C)CC(F)(F)F)CCOC1
InChIInChI=1S/C12H23F3N2O/c1-10(2)16-6-11(4-5-18-9-11)7-17(3)8-12(13,14)15/h10,16H,4-9H2,1-3H3
InChIKeyFDOXCFHCBUNDKB-UHFFFAOYSA-N
XLogP1.89
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine (CID 62256694) is N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(CN(C)CC(F)(F)F)CCOC1.
What is the InChIKey of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is FDOXCFHCBUNDKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23F3N2O/c1-10(2)16-6-11(4-5-18-9-11)7-17(3)8-12(13,14)15/h10,16H,4-9H2,1-3H3.
What are the key properties of N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine?
N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 268.32 g/mol, XLogP of 1.89, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[[methyl(2,2,2-trifluoroethyl)amino]methyl]oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 62256694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).