1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane

C5H8F4O2 — CID 59991527

IUPAC1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane
SMILESCOC(F)(F)C(C)(F)OCF
InChIInChI=1S/C5H8F4O2/c1-4(7,11-3-6)5(8,9)10-2/h3H2,1-2H3
InChIKeyUOOULFQCXLUABJ-UHFFFAOYSA-N
MW176.11 g/mol
LogP1.85
Rot. Bonds4

About 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane

1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane (PubChem CID 59991527) has the molecular formula C5H8F4O2 and a molecular weight of 176.11 g/mol. Its IUPAC name is 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane.

Molecular Properties

Compound Name1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane
PubChem CID59991527
Molecular FormulaC5H8F4O2
Molecular Weight176.11 g/mol
Exact Mass176.05
IUPAC Name1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane
SMILESCOC(F)(F)C(C)(F)OCF
InChIInChI=1S/C5H8F4O2/c1-4(7,11-3-6)5(8,9)10-2/h3H2,1-2H3
InChIKeyUOOULFQCXLUABJ-UHFFFAOYSA-N
XLogP1.85
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.11
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane?
The IUPAC name of 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane (CID 59991527) is 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane.
What is the SMILES notation for 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane?
The canonical SMILES for 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane is COC(F)(F)C(C)(F)OCF.
What is the InChIKey of 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane?
The InChIKey is UOOULFQCXLUABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8F4O2/c1-4(7,11-3-6)5(8,9)10-2/h3H2,1-2H3.
What are the key properties of 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane?
1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane has a molecular weight of 176.11 g/mol, XLogP of 1.85, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trifluoro-2-(fluoromethoxy)-1-methoxypropane is sourced from PubChem (CID 59991527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).