2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol

C8H14F3NO2 — CID 106100948

IUPAC2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-7(13,2-3-14-6)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyZVFCZMULIQQGRJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP0.68
Rot. Bonds3

About 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol

2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol (PubChem CID 106100948) has the molecular formula C8H14F3NO2 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
PubChem CID106100948
Molecular FormulaC8H14F3NO2
Molecular Weight213.20 g/mol
Exact Mass213.10
IUPAC Name2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol
SMILESCC1OCCC1(O)CNCC(F)(F)F
InChIInChI=1S/C8H14F3NO2/c1-6-7(13,2-3-14-6)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3
InChIKeyZVFCZMULIQQGRJ-UHFFFAOYSA-N
XLogP0.68
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 50.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The IUPAC name of 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol (CID 106100948) is 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol is CC1OCCC1(O)CNCC(F)(F)F.
What is the InChIKey of 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
The InChIKey is ZVFCZMULIQQGRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14F3NO2/c1-6-7(13,2-3-14-6)4-12-5-8(9,10)11/h6,12-13H,2-5H2,1H3.
What are the key properties of 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol?
2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol has a molecular weight of 213.20 g/mol, XLogP of 0.68, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[(2,2,2-trifluoroethylamino)methyl]oxolan-3-ol is sourced from PubChem (CID 106100948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).