1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane

C6H7F7O2 — CID 23405171

IUPAC1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane
SMILESCOC(OCCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-14-4(5(8,9)10,6(11,12)13)15-3-2-7/h2-3H2,1H3
InChIKeyBKSHLVPOCXRGAN-UHFFFAOYSA-N
MW244.11 g/mol
LogP2.44
Rot. Bonds4

About 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane

1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane (PubChem CID 23405171) has the molecular formula C6H7F7O2 and a molecular weight of 244.11 g/mol. Its IUPAC name is 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane.

Molecular Properties

Compound Name1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane
PubChem CID23405171
Molecular FormulaC6H7F7O2
Molecular Weight244.11 g/mol
Exact Mass244.03
IUPAC Name1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane
SMILESCOC(OCCF)(C(F)(F)F)C(F)(F)F
InChIInChI=1S/C6H7F7O2/c1-14-4(5(8,9)10,6(11,12)13)15-3-2-7/h2-3H2,1H3
InChIKeyBKSHLVPOCXRGAN-UHFFFAOYSA-N
XLogP2.44
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.11
LogP ≤ 52.44
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 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane?
The IUPAC name of 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane (CID 23405171) is 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane.
What is the SMILES notation for 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane?
The canonical SMILES for 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane is COC(OCCF)(C(F)(F)F)C(F)(F)F.
What is the InChIKey of 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane?
The InChIKey is BKSHLVPOCXRGAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7F7O2/c1-14-4(5(8,9)10,6(11,12)13)15-3-2-7/h2-3H2,1H3.
What are the key properties of 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane?
1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane has a molecular weight of 244.11 g/mol, XLogP of 2.44, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1,3,3,3-hexafluoro-2-(2-fluoroethoxy)-2-methoxypropane is sourced from PubChem (CID 23405171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).