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

C8H15F2NO2 — CID 103897150

IUPAC1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCOC1)C(F)F
InChIInChI=1S/C8H15F2NO2/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h6-8,11-12H,1-5H2
InChIKeyAQZGESGADYKXGU-UHFFFAOYSA-N
MW195.21 g/mol
LogP0.24
Rot. Bonds5

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

1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol (PubChem CID 103897150) has the molecular formula C8H15F2NO2 and a molecular weight of 195.21 g/mol. Its IUPAC name is 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol
PubChem CID103897150
Molecular FormulaC8H15F2NO2
Molecular Weight195.21 g/mol
Exact Mass195.11
IUPAC Name1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol
SMILESOC(CNCC1CCOC1)C(F)F
InChIInChI=1S/C8H15F2NO2/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h6-8,11-12H,1-5H2
InChIKeyAQZGESGADYKXGU-UHFFFAOYSA-N
XLogP0.24
TPSA41.49 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.21
LogP ≤ 50.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol?
The IUPAC name of 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol (CID 103897150) is 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol is OC(CNCC1CCOC1)C(F)F.
What is the InChIKey of 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol?
The InChIKey is AQZGESGADYKXGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F2NO2/c9-8(10)7(12)4-11-3-6-1-2-13-5-6/h6-8,11-12H,1-5H2.
What are the key properties of 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol?
1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol has a molecular weight of 195.21 g/mol, XLogP of 0.24, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-(oxolan-3-ylmethylamino)propan-2-ol is sourced from PubChem (CID 103897150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).