(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one

C4H5FO3 — CID 131176048

IUPAC(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
SMILESO=C1OC[C@@H](F)[C@@H]1O
InChIInChI=1S/C4H5FO3/c5-2-1-8-4(7)3(2)6/h2-3,6H,1H2/t2-,3+/m1/s1
InChIKeyYCIGZYLLSDHORG-GBXIJSLDSA-N
MW120.08 g/mol
LogP-0.76
Rot. Bonds

About (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one

(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one (PubChem CID 131176048) has the molecular formula C4H5FO3 and a molecular weight of 120.08 g/mol. Its IUPAC name is (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one.

Molecular Properties

Compound Name(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
PubChem CID131176048
Molecular FormulaC4H5FO3
Molecular Weight120.08 g/mol
Exact Mass120.02
IUPAC Name(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one
SMILESO=C1OC[C@@H](F)[C@@H]1O
InChIInChI=1S/C4H5FO3/c5-2-1-8-4(7)3(2)6/h2-3,6H,1H2/t2-,3+/m1/s1
InChIKeyYCIGZYLLSDHORG-GBXIJSLDSA-N
XLogP-0.76
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.08
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R,4R)-3-hydroxy-4-methyloxolan-2-one
CID 10953469
(3S,4S)-3-hydroxy-4-(hydroxymethyl)oxolan-2-one
CID 131176445
3-hydroxy-4-propan-2-yloxolan-2-one
CID 130147682
(4S,4aR,7aS)-4-hydroxy-4,4a,5,6,7,7a-hexahydro-1H-cyclopenta[c]pyran-3-one
CID 53362983
(4-hydroxy-5-oxooxolan-3-yl) 2,2-difluoroacetate
CID 58225940
3-hydroxy-3,3a,6,6a-tetrahydrofuro[2,3-c]furan-2,4-dione
CID 22034553
(3R,4R,5S,6R)-3,4,5,6-tetrahydroxyoxocan-2-one
CID 118468529
3,4,5,6-tetrahydroxyoxocan-2-one
CID 174644420
(1S,5R,6S,7S)-7-bromo-6-hydroxy-3-oxabicyclo[3.2.0]heptan-2-one
CID 101060813
5-ethenyl-3-hydroxy-4-prop-2-enyloxan-2-one
CID 130145291
(3R,4S,5R,6R)-4,5,6-trihydroxy-3-sulfanyloxepan-2-one
CID 89253142
8,9-dihydroxy-4-oxatricyclo[5.2.1.02,6]decan-3-one
CID 22034559

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one?
The IUPAC name of (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one (CID 131176048) is (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one.
What is the SMILES notation for (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one?
The canonical SMILES for (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one is O=C1OC[C@@H](F)[C@@H]1O.
What is the InChIKey of (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one?
The InChIKey is YCIGZYLLSDHORG-GBXIJSLDSA-N. The full InChI is InChI=1S/C4H5FO3/c5-2-1-8-4(7)3(2)6/h2-3,6H,1H2/t2-,3+/m1/s1.
What are the key properties of (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one?
(3R,4R)-4-fluoro-3-hydroxyoxolan-2-one has a molecular weight of 120.08 g/mol, XLogP of -0.76, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-fluoro-3-hydroxyoxolan-2-one is sourced from PubChem (CID 131176048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).