3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol

C8H15F2NO2 — CID 106101073

IUPAC3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6-8(12,2-3-13-6)5-11-4-7(9)10/h6-7,11-12H,2-5H2,1H3
InChIKeyUXGXOOYTRMVTRT-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.38
Rot. Bonds4

About 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol

3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol (PubChem CID 106101073) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol.

Molecular Properties

Compound Name3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol
PubChem CID106101073
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol
SMILESCC1OCCC1(O)CNCC(F)F
InChIInChI=1S/C8H15F2NO2/c1-6-8(12,2-3-13-6)5-11-4-7(9)10/h6-7,11-12H,2-5H2,1H3
InChIKeyUXGXOOYTRMVTRT-UHFFFAOYSA-N
XLogP0.38
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol?
The IUPAC name of 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol (CID 106101073) is 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol.
What is the SMILES notation for 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol?
The canonical SMILES for 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol is CC1OCCC1(O)CNCC(F)F.
What is the InChIKey of 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol?
The InChIKey is UXGXOOYTRMVTRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c1-6-8(12,2-3-13-6)5-11-4-7(9)10/h6-7,11-12H,2-5H2,1H3.
What are the key properties of 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol?
3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol has a molecular weight of 195.21 g/mol, XLogP of 0.38, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2,2-difluoroethylamino)methyl]-2-methyloxolan-3-ol is sourced from PubChem (CID 106101073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).