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

C7H13F2NO2 — CID 106100612

IUPAC3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCC(F)F)CCOC1
InChIInChI=1S/C7H13F2NO2/c8-6(9)3-10-4-7(11)1-2-12-5-7/h6,10-11H,1-5H2
InChIKeySSPXLTBMTOJGIO-UHFFFAOYSA-N
MW181.18 g/mol
LogP-0.01
Rot. Bonds4

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

3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol (PubChem CID 106100612) has the molecular formula C7H13F2NO2 and a molecular weight of 181.18 g/mol. Its IUPAC name is 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol.

Molecular Properties

Compound Name3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol
PubChem CID106100612
Molecular FormulaC7H13F2NO2
Molecular Weight181.18 g/mol
Exact Mass181.09
IUPAC Name3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol
SMILESOC1(CNCC(F)F)CCOC1
InChIInChI=1S/C7H13F2NO2/c8-6(9)3-10-4-7(11)1-2-12-5-7/h6,10-11H,1-5H2
InChIKeySSPXLTBMTOJGIO-UHFFFAOYSA-N
XLogP-0.01
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.18
LogP ≤ 5-0.01
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]oxolan-3-ol?
The IUPAC name of 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol (CID 106100612) is 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol.
What is the SMILES notation for 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol?
The canonical SMILES for 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol is OC1(CNCC(F)F)CCOC1.
What is the InChIKey of 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol?
The InChIKey is SSPXLTBMTOJGIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13F2NO2/c8-6(9)3-10-4-7(11)1-2-12-5-7/h6,10-11H,1-5H2.
What are the key properties of 3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol?
3-[(2,2-difluoroethylamino)methyl]oxolan-3-ol has a molecular weight of 181.18 g/mol, XLogP of -0.01, 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]oxolan-3-ol is sourced from PubChem (CID 106100612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).