[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine

C9H16F3NO2 — CID 106706222

IUPAC[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(4-13,2-3-15-7)5-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyVXBWJNJJSJRAEQ-UHFFFAOYSA-N
MW227.23 g/mol
LogP1.32
Rot. Bonds4

About [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine

[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine (PubChem CID 106706222) has the molecular formula C9H16F3NO2 and a molecular weight of 227.23 g/mol. Its IUPAC name is [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
PubChem CID106706222
Molecular FormulaC9H16F3NO2
Molecular Weight227.23 g/mol
Exact Mass227.11
IUPAC Name[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
SMILESCC1OCCC1(CN)COCC(F)(F)F
InChIInChI=1S/C9H16F3NO2/c1-7-8(4-13,2-3-15-7)5-14-6-9(10,11)12/h7H,2-6,13H2,1H3
InChIKeyVXBWJNJJSJRAEQ-UHFFFAOYSA-N
XLogP1.32
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.23
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The IUPAC name of [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine (CID 106706222) is [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine is CC1OCCC1(CN)COCC(F)(F)F.
What is the InChIKey of [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The InChIKey is VXBWJNJJSJRAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16F3NO2/c1-7-8(4-13,2-3-15-7)5-14-6-9(10,11)12/h7H,2-6,13H2,1H3.
What are the key properties of [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
[2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine has a molecular weight of 227.23 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-methyl-3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 106706222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).