1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane

C10H19F3O3 — CID 58421301

IUPAC1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane
SMILESCCCOCCOCCOCCC(F)(F)F
InChIInChI=1S/C10H19F3O3/c1-2-4-14-6-8-16-9-7-15-5-3-10(11,12)13/h2-9H2,1H3
InChIKeyLGFHQSSAHRFMBF-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.40
Rot. Bonds10

About 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane

1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane (PubChem CID 58421301) has the molecular formula C10H19F3O3 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane
PubChem CID58421301
Molecular FormulaC10H19F3O3
Molecular Weight244.25 g/mol
Exact Mass244.13
IUPAC Name1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane
SMILESCCCOCCOCCOCCC(F)(F)F
InChIInChI=1S/C10H19F3O3/c1-2-4-14-6-8-16-9-7-15-5-3-10(11,12)13/h2-9H2,1H3
InChIKeyLGFHQSSAHRFMBF-UHFFFAOYSA-N
XLogP2.40
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane?
The IUPAC name of 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane (CID 58421301) is 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane.
What is the SMILES notation for 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane?
The canonical SMILES for 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane is CCCOCCOCCOCCC(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane?
The InChIKey is LGFHQSSAHRFMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3O3/c1-2-4-14-6-8-16-9-7-15-5-3-10(11,12)13/h2-9H2,1H3.
What are the key properties of 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane?
1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane has a molecular weight of 244.25 g/mol, XLogP of 2.40, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[2-(2-propoxyethoxy)ethoxy]propane is sourced from PubChem (CID 58421301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).