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

C12H22F3NO2 — CID 106706225

IUPACN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyQXCFFJJWCYXFSH-UHFFFAOYSA-N
MW269.31 g/mol
LogP2.36
Rot. Bonds6

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

N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (PubChem CID 106706225) has the molecular formula C12H22F3NO2 and a molecular weight of 269.31 g/mol. Its IUPAC name is N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
PubChem CID106706225
Molecular FormulaC12H22F3NO2
Molecular Weight269.31 g/mol
Exact Mass269.16
IUPAC NameN-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine
SMILESCC(C)NCC1(COCC(F)(F)F)CCOC1C
InChIInChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3
InChIKeyQXCFFJJWCYXFSH-UHFFFAOYSA-N
XLogP2.36
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.31
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine (CID 106706225) is N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine is CC(C)NCC1(COCC(F)(F)F)CCOC1C.
What is the InChIKey of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is QXCFFJJWCYXFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22F3NO2/c1-9(2)16-6-11(4-5-18-10(11)3)7-17-8-12(13,14)15/h9-10,16H,4-8H2,1-3H3.
What are the key properties of N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine?
N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 269.31 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 106706225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).