(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid

C6H9FO3 — CID 129372213

IUPAC(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
SMILESO=C(O)[C@@H](F)[C@@H]1CCOC1
InChIInChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyNBQWHWHXEDVJIW-UHNVWZDZSA-N
MW148.13 g/mol
LogP0.45
Rot. Bonds2

About (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid

(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid (PubChem CID 129372213) has the molecular formula C6H9FO3 and a molecular weight of 148.13 g/mol. Its IUPAC name is (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid.

Molecular Properties

Compound Name(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
PubChem CID129372213
Molecular FormulaC6H9FO3
Molecular Weight148.13 g/mol
Exact Mass148.05
IUPAC Name(2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid
SMILESO=C(O)[C@@H](F)[C@@H]1CCOC1
InChIInChI=1S/C6H9FO3/c7-5(6(8)9)4-1-2-10-3-4/h4-5H,1-3H2,(H,8,9)/t4-,5+/m1/s1
InChIKeyNBQWHWHXEDVJIW-UHNVWZDZSA-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

(2S)-2-amino-2-[(3R)-oxolan-3-yl]acetic acid
CID 14962798
2-amino-3-(oxolan-3-yl)butanoic acid
CID 164654372
2-formamido-2-(oxolan-3-yl)acetic acid
CID 63690047
2-fluoro-2-(oxan-4-yl)acetyl chloride
CID 105439137
2-(cycloheptylamino)-2-(oxolan-3-yl)acetic acid
CID 54892838
2-(2-methylpropylamino)-2-(oxolan-3-yl)acetic acid
CID 61002881
3-ethoxy-3-oxo-2-(oxolan-3-yl)propanoic acid
CID 103973494
3-amino-3-(oxolan-3-yl)propanoic acid;hydrochloride
CID 42614428
(E)-2-methyl-4,4-bis(oxolan-3-yl)but-2-enoic acid
CID 69040622
(2S)-2-amino-2-(oxan-3-yl)acetic acid
CID 107134850
(1S)-1-[(3R)-oxolan-3-yl]ethanol
CID 95763789
(1S)-2,2-difluoro-1-(oxolan-3-yl)ethanamine;hydrochloride
CID 155821044

Frequently Asked Questions

What is the IUPAC name of (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid?
The IUPAC name of (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid (CID 129372213) is (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid.
What is the SMILES notation for (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid?
The canonical SMILES for (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid is O=C(O)[C@@H](F)[C@@H]1CCOC1.
What is the InChIKey of (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid?
The InChIKey is NBQWHWHXEDVJIW-UHNVWZDZSA-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)/t4-,5+/m1/s1.
What are the key properties of (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid?
(2S)-2-fluoro-2-[(3R)-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 (2S)-2-fluoro-2-[(3R)-oxolan-3-yl]acetic acid is sourced from PubChem (CID 129372213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).