fluoro 2-(oxolan-3-yl)acetate

C6H9FO3 — CID 176972898

IUPACfluoro 2-(oxolan-3-yl)acetate
SMILESO=C(CC1CCOC1)OF
InChIInChI=1S/C6H9FO3/c7-10-6(8)3-5-1-2-9-4-5/h5H,1-4H2
InChIKeyAFOQRUMHLUYHPG-UHFFFAOYSA-N
MW148.13 g/mol
LogP0.84
Rot. Bonds2

About fluoro 2-(oxolan-3-yl)acetate

fluoro 2-(oxolan-3-yl)acetate (PubChem CID 176972898) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is fluoro 2-(oxolan-3-yl)acetate.

Molecular Properties

Compound Namefluoro 2-(oxolan-3-yl)acetate
PubChem CID176972898
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Namefluoro 2-(oxolan-3-yl)acetate
SMILESO=C(CC1CCOC1)OF
InChIInChI=1S/C6H9FO3/c7-10-6(8)3-5-1-2-9-4-5/h5H,1-4H2
InChIKeyAFOQRUMHLUYHPG-UHFFFAOYSA-N
XLogP0.84
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-Ethyloxolan-2-one
CID 27893
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
(S)-3-Ethyl-gamma-butyrolactone
CID 57939696
2-(Oxolan-3-yl)acetic acid
CID 4244905
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793
2-Fluoro-2-(oxolan-3-yl)acetic acid
CID 81358717
Sodium 2,2-difluoro-2-(oxolan-3-yl)acetate
CID 165671477
Ethyl 2-(2-oxooxolan-3-yl)acetate
CID 281855
3-(2-(Acetyloxy)ethyl)dihydro-2(3H)-furanone
CID 11008384
Methyl 2-(2,5-dioxooxolan-3-yl)acetate
CID 3319749
2,2-Difluoro-2-(oxolan-3-yl)acetic acid
CID 84717108

Frequently Asked Questions

What is the IUPAC name of fluoro 2-(oxolan-3-yl)acetate?
The IUPAC name of fluoro 2-(oxolan-3-yl)acetate (CID 176972898) is fluoro 2-(oxolan-3-yl)acetate.
What is the SMILES notation for fluoro 2-(oxolan-3-yl)acetate?
The canonical SMILES for fluoro 2-(oxolan-3-yl)acetate is O=C(CC1CCOC1)OF.
What is the InChIKey of fluoro 2-(oxolan-3-yl)acetate?
The InChIKey is AFOQRUMHLUYHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c7-10-6(8)3-5-1-2-9-4-5/h5H,1-4H2.
What are the key properties of fluoro 2-(oxolan-3-yl)acetate?
fluoro 2-(oxolan-3-yl)acetate has a molecular weight of 148.13 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(oxolan-3-yl)acetate is sourced from PubChem (CID 176972898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).