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

C8H14F3NO2 — CID 106705980

IUPAC[3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
SMILESNCC1(COCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(3-12)1-2-13-4-7/h1-6,12H2
InChIKeyXXKHOMZPYFSIAE-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.93
Rot. Bonds4

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

[3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine (PubChem CID 106705980) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine.

Molecular Properties

Compound Name[3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
PubChem CID106705980
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name[3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine
SMILESNCC1(COCC(F)(F)F)CCOC1
InChIInChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(3-12)1-2-13-4-7/h1-6,12H2
InChIKeyXXKHOMZPYFSIAE-UHFFFAOYSA-N
XLogP0.93
TPSA44.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The IUPAC name of [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine (CID 106705980) is [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine.
What is the SMILES notation for [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The canonical SMILES for [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine is NCC1(COCC(F)(F)F)CCOC1.
What is the InChIKey of [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
The InChIKey is XXKHOMZPYFSIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c9-8(10,11)6-14-5-7(3-12)1-2-13-4-7/h1-6,12H2.
What are the key properties of [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine?
[3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine has a molecular weight of 213.20 g/mol, XLogP of 0.93, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2,2,2-trifluoroethoxymethyl)oxolan-3-yl]methanamine is sourced from PubChem (CID 106705980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).