1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane

C5H6F6O2 — CID 87847383

IUPAC1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane
SMILESCOC(OCF)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-4(3(7)8,13-2-6)5(9,10)11/h3H,2H2,1H3
InChIKeyZYOVFPYHACEQRO-UHFFFAOYSA-N
MW212.09 g/mol
LogP2.10
Rot. Bonds4

About 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane

1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane (PubChem CID 87847383) has the molecular formula C5H6F6O2 and a molecular weight of 212.09 g/mol. Its IUPAC name is 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane.

Molecular Properties

Compound Name1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane
PubChem CID87847383
Molecular FormulaC5H6F6O2
Molecular Weight212.09 g/mol
Exact Mass212.03
IUPAC Name1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane
SMILESCOC(OCF)(C(F)F)C(F)(F)F
InChIInChI=1S/C5H6F6O2/c1-12-4(3(7)8,13-2-6)5(9,10)11/h3H,2H2,1H3
InChIKeyZYOVFPYHACEQRO-UHFFFAOYSA-N
XLogP2.10
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.09
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane?
The IUPAC name of 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane (CID 87847383) is 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane.
What is the SMILES notation for 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane?
The canonical SMILES for 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane is COC(OCF)(C(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane?
The InChIKey is ZYOVFPYHACEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6F6O2/c1-12-4(3(7)8,13-2-6)5(9,10)11/h3H,2H2,1H3.
What are the key properties of 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane?
1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane has a molecular weight of 212.09 g/mol, XLogP of 2.10, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3-pentafluoro-2-(fluoromethoxy)-2-methoxypropane is sourced from PubChem (CID 87847383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).