4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane

C8H12F4O2 — CID 58450265

IUPAC4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
SMILESCOC(C(F)(F)F)C1(F)CCOCC1
InChIInChI=1S/C8H12F4O2/c1-13-6(8(10,11)12)7(9)2-4-14-5-3-7/h6H,2-5H2,1H3
InChIKeyHWJNAABQZRPUNC-UHFFFAOYSA-N
MW216.17 g/mol
LogP2.08
Rot. Bonds2

About 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane

4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane (PubChem CID 58450265) has the molecular formula C8H12F4O2 and a molecular weight of 216.17 g/mol. Its IUPAC name is 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane.

Molecular Properties

Compound Name4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
PubChem CID58450265
Molecular FormulaC8H12F4O2
Molecular Weight216.17 g/mol
Exact Mass216.08
IUPAC Name4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane
SMILESCOC(C(F)(F)F)C1(F)CCOCC1
InChIInChI=1S/C8H12F4O2/c1-13-6(8(10,11)12)7(9)2-4-14-5-3-7/h6H,2-5H2,1H3
InChIKeyHWJNAABQZRPUNC-UHFFFAOYSA-N
XLogP2.08
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.17
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane?
The IUPAC name of 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane (CID 58450265) is 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane.
What is the SMILES notation for 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane?
The canonical SMILES for 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane is COC(C(F)(F)F)C1(F)CCOCC1.
What is the InChIKey of 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane?
The InChIKey is HWJNAABQZRPUNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12F4O2/c1-13-6(8(10,11)12)7(9)2-4-14-5-3-7/h6H,2-5H2,1H3.
What are the key properties of 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane?
4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane has a molecular weight of 216.17 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-4-(2,2,2-trifluoro-1-methoxyethyl)oxane is sourced from PubChem (CID 58450265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).