4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane

C10H19FO2 — CID 166503861

IUPAC4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1(F)CCOCC1
InChIInChI=1S/C10H19FO2/c1-9(2,3)13-8-10(11)4-6-12-7-5-10/h4-8H2,1-3H3
InChIKeyLLPQTVLREPLLHK-UHFFFAOYSA-N
MW190.26 g/mol
LogP2.32
Rot. Bonds2

About 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane

4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane (PubChem CID 166503861) has the molecular formula C10H19FO2 and a molecular weight of 190.26 g/mol. Its IUPAC name is 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane.

Molecular Properties

Compound Name4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane
PubChem CID166503861
Molecular FormulaC10H19FO2
Molecular Weight190.26 g/mol
Exact Mass190.14
IUPAC Name4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane
SMILESCC(C)(C)OCC1(F)CCOCC1
InChIInChI=1S/C10H19FO2/c1-9(2,3)13-8-10(11)4-6-12-7-5-10/h4-8H2,1-3H3
InChIKeyLLPQTVLREPLLHK-UHFFFAOYSA-N
XLogP2.32
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.26
LogP ≤ 52.32
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-methylpropan-2-yl)oxymethyl]oxane?
The IUPAC name of 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane (CID 166503861) is 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane.
What is the SMILES notation for 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane?
The canonical SMILES for 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane is CC(C)(C)OCC1(F)CCOCC1.
What is the InChIKey of 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane?
The InChIKey is LLPQTVLREPLLHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19FO2/c1-9(2,3)13-8-10(11)4-6-12-7-5-10/h4-8H2,1-3H3.
What are the key properties of 4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane?
4-fluoro-4-[(2-methylpropan-2-yl)oxymethyl]oxane has a molecular weight of 190.26 g/mol, XLogP of 2.32, 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-methylpropan-2-yl)oxymethyl]oxane is sourced from PubChem (CID 166503861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).