2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane

C13H17F7O2 — CID 20743916

IUPAC2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
SMILESCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C13H17F7O2/c1-2-21-7-22-11(12(15,16)17,13(18,19)20)10(14)6-8-3-4-9(10)5-8/h8-9H,2-7H2,1H3
InChIKeyOYBLMTLQQRRJER-UHFFFAOYSA-N
MW338.26 g/mol
LogP4.39
Rot. Bonds5

About 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane

2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane (PubChem CID 20743916) has the molecular formula C13H17F7O2 and a molecular weight of 338.26 g/mol. Its IUPAC name is 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane.

Molecular Properties

Compound Name2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
PubChem CID20743916
Molecular FormulaC13H17F7O2
Molecular Weight338.26 g/mol
Exact Mass338.11
IUPAC Name2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane
SMILESCCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2
InChIInChI=1S/C13H17F7O2/c1-2-21-7-22-11(12(15,16)17,13(18,19)20)10(14)6-8-3-4-9(10)5-8/h8-9H,2-7H2,1H3
InChIKeyOYBLMTLQQRRJER-UHFFFAOYSA-N
XLogP4.39
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.26
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane?
The IUPAC name of 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane (CID 20743916) is 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane.
What is the SMILES notation for 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane?
The canonical SMILES for 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane is CCOCOC(C(F)(F)F)(C(F)(F)F)C1(F)CC2CCC1C2.
What is the InChIKey of 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane?
The InChIKey is OYBLMTLQQRRJER-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17F7O2/c1-2-21-7-22-11(12(15,16)17,13(18,19)20)10(14)6-8-3-4-9(10)5-8/h8-9H,2-7H2,1H3.
What are the key properties of 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane?
2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane has a molecular weight of 338.26 g/mol, XLogP of 4.39, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(ethoxymethoxy)-1,1,1,3,3,3-hexafluoropropan-2-yl]-2-fluorobicyclo[2.2.1]heptane is sourced from PubChem (CID 20743916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).