2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol

C9H17F2NO2 — CID 106176520

IUPAC2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCCCO1
InChIInChI=1S/C9H17F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h8,12-13H,1-7H2
InChIKeyDTEXJLWYLHFKTD-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.77
Rot. Bonds5

About 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol

2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol (PubChem CID 106176520) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol.

Molecular Properties

Compound Name2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol
PubChem CID106176520
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol
SMILESOCC(F)(F)CNCC1CCCCO1
InChIInChI=1S/C9H17F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h8,12-13H,1-7H2
InChIKeyDTEXJLWYLHFKTD-UHFFFAOYSA-N
XLogP0.77
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.24
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol?
The IUPAC name of 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol (CID 106176520) is 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol.
What is the SMILES notation for 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol?
The canonical SMILES for 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol is OCC(F)(F)CNCC1CCCCO1.
What is the InChIKey of 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol?
The InChIKey is DTEXJLWYLHFKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c10-9(11,7-13)6-12-5-8-3-1-2-4-14-8/h8,12-13H,1-7H2.
What are the key properties of 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol?
2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol has a molecular weight of 209.24 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-3-(oxan-2-ylmethylamino)propan-1-ol is sourced from PubChem (CID 106176520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).