3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol

C8H15F3O4 — CID 20702759

IUPAC3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol
SMILESOCC(O)COCC(F)(F)OCCCF
InChIInChI=1S/C8H15F3O4/c9-2-1-3-15-8(10,11)6-14-5-7(13)4-12/h7,12-13H,1-6H2
InChIKeyMMEVASIAXFVLCK-UHFFFAOYSA-N
MW232.20 g/mol
LogP0.33
Rot. Bonds9

About 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol

3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol (PubChem CID 20702759) has the molecular formula C8H15F3O4 and a molecular weight of 232.20 g/mol. Its IUPAC name is 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol.

Molecular Properties

Compound Name3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol
PubChem CID20702759
Molecular FormulaC8H15F3O4
Molecular Weight232.20 g/mol
Exact Mass232.09
IUPAC Name3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol
SMILESOCC(O)COCC(F)(F)OCCCF
InChIInChI=1S/C8H15F3O4/c9-2-1-3-15-8(10,11)6-14-5-7(13)4-12/h7,12-13H,1-6H2
InChIKeyMMEVASIAXFVLCK-UHFFFAOYSA-N
XLogP0.33
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.20
LogP ≤ 50.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol?
The IUPAC name of 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol (CID 20702759) is 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol.
What is the SMILES notation for 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol?
The canonical SMILES for 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol is OCC(O)COCC(F)(F)OCCCF.
What is the InChIKey of 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol?
The InChIKey is MMEVASIAXFVLCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15F3O4/c9-2-1-3-15-8(10,11)6-14-5-7(13)4-12/h7,12-13H,1-6H2.
What are the key properties of 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol?
3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol has a molecular weight of 232.20 g/mol, XLogP of 0.33, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,2-difluoro-2-(3-fluoropropoxy)ethoxy]propane-1,2-diol is sourced from PubChem (CID 20702759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).