[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate

C11H19FO4 — CID 166546051

IUPAC[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate
SMILESCCCOC1CC(OC(C)=O)CC(CF)O1
InChIInChI=1S/C11H19FO4/c1-3-4-14-11-6-9(15-8(2)13)5-10(7-12)16-11/h9-11H,3-7H2,1-2H3
InChIKeyMUSHJQHTXXRKNE-UHFFFAOYSA-N
MW234.27 g/mol
LogP1.82
Rot. Bonds5

About [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate

[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate (PubChem CID 166546051) has the molecular formula C11H19FO4 and a molecular weight of 234.27 g/mol. Its IUPAC name is [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate.

Molecular Properties

Compound Name[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate
PubChem CID166546051
Molecular FormulaC11H19FO4
Molecular Weight234.27 g/mol
Exact Mass234.13
IUPAC Name[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate
SMILESCCCOC1CC(OC(C)=O)CC(CF)O1
InChIInChI=1S/C11H19FO4/c1-3-4-14-11-6-9(15-8(2)13)5-10(7-12)16-11/h9-11H,3-7H2,1-2H3
InChIKeyMUSHJQHTXXRKNE-UHFFFAOYSA-N
XLogP1.82
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.27
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[2-methoxy-6-(methoxymethyl)oxan-4-yl] acetate
CID 129275610
[4-acetyloxy-6-[(Z)-4-hydroxybut-2-enoxy]oxan-2-yl]methyl acetate
CID 142000686
[(2S,3S,4S,6R)-3-acetyloxy-6-dodecoxy-2-methyloxan-4-yl] acetate
CID 102214811
[(4S)-2-butanoyloxy-6-(hydroxymethyl)oxan-4-yl] butanoate
CID 142492684
[2-methyl-6-(2-oxopropyl)oxan-4-yl] acetate
CID 10846291
CID 88574739
CID 88574739
[(2R,3R,4R,6S)-3,4-diacetyloxy-6-octoxyoxan-2-yl]methyl acetate
CID 100922214
[2-ethyl-6-[2-formyl-4-(hydroxymethyl)phenoxy]oxan-4-yl] acetate
CID 178003313
[(2R,4R,6R)-6-acetyloxy-4-(1-hydroxyethoxy)oxan-2-yl]methyl acetate
CID 143562159
[(2R,4R,6S)-2-[(E)-but-2-enyl]-6-methyloxan-4-yl] acetate
CID 10943794
[(2S,4S,6S)-2-tert-butyl-6-hexyl-1,3-dioxan-4-yl] acetate
CID 10016861
3-acetyloxy-2-[(4R,6S)-4-acetyloxy-6-(acetyloxymethyl)oxan-2-yl]propanoic acid
CID 142342543

Frequently Asked Questions

What is the IUPAC name of [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate?
The IUPAC name of [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate (CID 166546051) is [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate.
What is the SMILES notation for [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate?
The canonical SMILES for [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate is CCCOC1CC(OC(C)=O)CC(CF)O1.
What is the InChIKey of [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate?
The InChIKey is MUSHJQHTXXRKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19FO4/c1-3-4-14-11-6-9(15-8(2)13)5-10(7-12)16-11/h9-11H,3-7H2,1-2H3.
What are the key properties of [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate?
[2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate has a molecular weight of 234.27 g/mol, XLogP of 1.82, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(fluoromethyl)-6-propoxyoxan-4-yl] acetate is sourced from PubChem (CID 166546051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).