1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol

C9H17F2NO2 — CID 103787898

IUPAC1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)C1CCOC1
InChIInChI=1S/C9H17F2NO2/c1-6(7-2-3-14-5-7)12-4-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyKKAGWWNCTMLXJC-UHFFFAOYSA-N
MW209.24 g/mol
LogP0.63
Rot. Bonds5

About 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol

1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol (PubChem CID 103787898) has the molecular formula C9H17F2NO2 and a molecular weight of 209.24 g/mol. Its IUPAC name is 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol.

Molecular Properties

Compound Name1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol
PubChem CID103787898
Molecular FormulaC9H17F2NO2
Molecular Weight209.24 g/mol
Exact Mass209.12
IUPAC Name1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol
SMILESCC(NCC(O)C(F)F)C1CCOC1
InChIInChI=1S/C9H17F2NO2/c1-6(7-2-3-14-5-7)12-4-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3
InChIKeyKKAGWWNCTMLXJC-UHFFFAOYSA-N
XLogP0.63
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 ≤ 50.63
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-[1-(oxolan-3-yl)ethylamino]propan-2-ol?
The IUPAC name of 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol (CID 103787898) is 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol.
What is the SMILES notation for 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol?
The canonical SMILES for 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol is CC(NCC(O)C(F)F)C1CCOC1.
What is the InChIKey of 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol?
The InChIKey is KKAGWWNCTMLXJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17F2NO2/c1-6(7-2-3-14-5-7)12-4-8(13)9(10)11/h6-9,12-13H,2-5H2,1H3.
What are the key properties of 1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol?
1,1-difluoro-3-[1-(oxolan-3-yl)ethylamino]propan-2-ol has a molecular weight of 209.24 g/mol, XLogP of 0.63, 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-[1-(oxolan-3-yl)ethylamino]propan-2-ol is sourced from PubChem (CID 103787898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).