2-fluoro-2-(oxolan-3-yl)acetic acid

C6H9FO3 — CID 81358717

IUPAC2-fluoro-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(F)C1CCOC1
InChIInChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9)
InChIKeyNBQWHWHXEDVJIW-UHFFFAOYSA-N
MW148.13 g/mol
LogP0.45
Rot. Bonds2

About 2-fluoro-2-(oxolan-3-yl)acetic acid

2-fluoro-2-(oxolan-3-yl)acetic acid (PubChem CID 81358717) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is 2-fluoro-2-(oxolan-3-yl)acetic acid.

Molecular Properties

Compound Name2-fluoro-2-(oxolan-3-yl)acetic acid
PubChem CID81358717
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name2-fluoro-2-(oxolan-3-yl)acetic acid
SMILESO=C(O)C(F)C1CCOC1
InChIInChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9)
InChIKeyNBQWHWHXEDVJIW-UHFFFAOYSA-N
XLogP0.45
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.13
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(1R,2S)-2-(acetoxymethyl)-1-fluoro-cyclopropanecarboxylic acid
CID 3011502
(1R,2R)-2-(acetoxymethyl)-1-fluoro-cyclopropanecarboxylic acid
CID 3011503
2-(2-Oxooxolan-3-yl)acetic acid
CID 14084412
2-(Oxolan-3-yl)propanoic acid
CID 79418350
2-(Oxolan-3-yl)acetic acid
CID 4244905
Exo-3-oxabicyclo(3.1.0)hexane-6-carboxylic acid
CID 12204423
2-((3R)-oxolan-3-yl)acetic acid
CID 14962792
(S)-2-(Tetrahydrofuran-3-YL)acetic acid
CID 14962793
3-(2-Hydroxyethyl)oxolan-2-one
CID 14047240
2-Fluoro-3-(oxolan-3-yl)propanoic acid
CID 81358381
2-Fluoro-2-(oxan-4-yl)acetic acid
CID 81358497
2-(3-Methyloxolan-3-yl)acetic acid
CID 83815203

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-2-(oxolan-3-yl)acetic acid?
The IUPAC name of 2-fluoro-2-(oxolan-3-yl)acetic acid (CID 81358717) is 2-fluoro-2-(oxolan-3-yl)acetic acid.
What is the SMILES notation for 2-fluoro-2-(oxolan-3-yl)acetic acid?
The canonical SMILES for 2-fluoro-2-(oxolan-3-yl)acetic acid is O=C(O)C(F)C1CCOC1.
What is the InChIKey of 2-fluoro-2-(oxolan-3-yl)acetic acid?
The InChIKey is NBQWHWHXEDVJIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9).
What are the key properties of 2-fluoro-2-(oxolan-3-yl)acetic acid?
2-fluoro-2-(oxolan-3-yl)acetic acid has a molecular weight of 148.13 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-2-(oxolan-3-yl)acetic acid is sourced from PubChem (CID 81358717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).