(3-fluorooxan-2-yl) acetate

C7H11FO3 — CID 134578078

IUPAC(3-fluorooxan-2-yl) acetate
SMILESCC(=O)OC1OCCCC1F
InChIInChI=1S/C7H11FO3/c1-5(9)11-7-6(8)3-2-4-10-7/h6-7H,2-4H2,1H3
InChIKeyGKVAOWKRWZCNNP-UHFFFAOYSA-N
MW162.16 g/mol
LogP1.02
Rot. Bonds1

About (3-fluorooxan-2-yl) acetate

(3-fluorooxan-2-yl) acetate (PubChem CID 134578078) has the molecular formula C7H11FO3 and a molecular weight of 162.16 g/mol. Its IUPAC name is (3-fluorooxan-2-yl) acetate.

Molecular Properties

Compound Name(3-fluorooxan-2-yl) acetate
PubChem CID134578078
Molecular FormulaC7H11FO3
Molecular Weight162.16 g/mol
Exact Mass162.07
IUPAC Name(3-fluorooxan-2-yl) acetate
SMILESCC(=O)OC1OCCCC1F
InChIInChI=1S/C7H11FO3/c1-5(9)11-7-6(8)3-2-4-10-7/h6-7H,2-4H2,1H3
InChIKeyGKVAOWKRWZCNNP-UHFFFAOYSA-N
XLogP1.02
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.16
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3-propan-2-yloxan-2-yl) acetate
CID 91983932
[(1S,2S)-2-fluorocyclohexyl] acetate
CID 45090703
[(2R,3S,4S)-2,3-diacetyloxyoxan-4-yl] acetate
CID 10901352
acetic acid;[(2S,3S)-2-bromooxan-3-yl] acetate
CID 170946970
[2-(hydroxymethyl)oxan-3-yl] acetate
CID 164943022
[(2S,3R)-2-acetyloxyoxan-3-yl] (2S)-2-hydroxy-2-phenylacetate
CID 16743876
(3S,3aR,6R,6aR)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3,6-diol;[(3R,3aR,6S,6aR)-3-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate;(3S,3aR,6R,6aR)-6-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-ol;[(3R,3aR,6S,6aR)-3-(oxan-2-yloxy)-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-6-yl] acetate
CID 161034005
(2,2-dimethyloxan-3-yl) acetate
CID 155712609
[(2S,5S)-2,3,5,6-tetraacetyloxyoxan-4-yl] acetate
CID 134940268
cyclopropane;oxan-4-yl acetate
CID 69401848
2-(3-acetyloxyoxan-2-yl)oxyethyl-dimethyl-prop-2-ynylazanium
CID 146668938
[(2R,3R,4S,5R,6S)-2-[3-[(2R,3S)-3-acetyloxan-2-yl]propyl]-4,5-diacetyloxy-6-methoxyoxan-3-yl] acetate
CID 101194687

Frequently Asked Questions

What is the IUPAC name of (3-fluorooxan-2-yl) acetate?
The IUPAC name of (3-fluorooxan-2-yl) acetate (CID 134578078) is (3-fluorooxan-2-yl) acetate.
What is the SMILES notation for (3-fluorooxan-2-yl) acetate?
The canonical SMILES for (3-fluorooxan-2-yl) acetate is CC(=O)OC1OCCCC1F.
What is the InChIKey of (3-fluorooxan-2-yl) acetate?
The InChIKey is GKVAOWKRWZCNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11FO3/c1-5(9)11-7-6(8)3-2-4-10-7/h6-7H,2-4H2,1H3.
What are the key properties of (3-fluorooxan-2-yl) acetate?
(3-fluorooxan-2-yl) acetate has a molecular weight of 162.16 g/mol, XLogP of 1.02, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-fluorooxan-2-yl) acetate is sourced from PubChem (CID 134578078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).