1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol

C8H17F2NO3 — CID 131993602

IUPAC1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol
SMILESCCCOCCNCOCC(O)(F)F
InChIInChI=1S/C8H17F2NO3/c1-2-4-13-5-3-11-7-14-6-8(9,10)12/h11-12H,2-7H2,1H3
InChIKeyJDSHKVINBIYFQH-UHFFFAOYSA-N
MW213.22 g/mol
LogP0.56
Rot. Bonds9

About 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol

1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol (PubChem CID 131993602) has the molecular formula C8H17F2NO3 and a molecular weight of 213.22 g/mol. Its IUPAC name is 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol.

Molecular Properties

Compound Name1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol
PubChem CID131993602
Molecular FormulaC8H17F2NO3
Molecular Weight213.22 g/mol
Exact Mass213.12
IUPAC Name1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol
SMILESCCCOCCNCOCC(O)(F)F
InChIInChI=1S/C8H17F2NO3/c1-2-4-13-5-3-11-7-14-6-8(9,10)12/h11-12H,2-7H2,1H3
InChIKeyJDSHKVINBIYFQH-UHFFFAOYSA-N
XLogP0.56
TPSA50.72 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.22
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol?
The IUPAC name of 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol (CID 131993602) is 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol.
What is the SMILES notation for 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol?
The canonical SMILES for 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol is CCCOCCNCOCC(O)(F)F.
What is the InChIKey of 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol?
The InChIKey is JDSHKVINBIYFQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H17F2NO3/c1-2-4-13-5-3-11-7-14-6-8(9,10)12/h11-12H,2-7H2,1H3.
What are the key properties of 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol?
1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol has a molecular weight of 213.22 g/mol, XLogP of 0.56, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-2-[(2-propoxyethylamino)methoxy]ethanol is sourced from PubChem (CID 131993602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).