(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one

C11H11FO3 — CID 24879582

IUPAC(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
SMILESO=C1C[C@@H]([C@@H](O)c2ccc(F)cc2)CO1
InChIInChI=1S/C11H11FO3/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)15-6-8/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1
InChIKeySNMFJXASIZQLHC-KCJUWKMLSA-N
MW210.20 g/mol
LogP1.42
Rot. Bonds2

About (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one

(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one (PubChem CID 24879582) has the molecular formula C11H11FO3 and a molecular weight of 210.20 g/mol. Its IUPAC name is (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one.

Molecular Properties

Compound Name(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
PubChem CID24879582
Molecular FormulaC11H11FO3
Molecular Weight210.20 g/mol
Exact Mass210.07
IUPAC Name(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one
SMILESO=C1C[C@@H]([C@@H](O)c2ccc(F)cc2)CO1
InChIInChI=1S/C11H11FO3/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)15-6-8/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1
InChIKeySNMFJXASIZQLHC-KCJUWKMLSA-N
XLogP1.42
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.20
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5S)-5-[(S)-hydroxy(phenyl)methyl]oxan-2-one
CID 102090853
4-(1-hydroxyethyl)oxolan-2-one
CID 12664706
1-cyclopropyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
CID 82175905
(4S)-4-[(1R)-1,2-dihydroxyethyl]oxolan-2-one
CID 58158380
1-cyclopentyl-4-[(4-fluorophenyl)-hydroxymethyl]pyrrolidin-2-one
CID 82175959
4-[(4-fluorophenyl)-hydroxymethyl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 82175938
(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
CID 50917706
(4S)-4-[(1S)-1-(1,3-benzodioxol-5-yl)ethyl]oxolan-2-one
CID 163601574
(4-fluorophenyl)-(1-methylpiperidin-3-yl)methanol
CID 142412324
2-ethyl-1-[4-[(4-fluorophenyl)-hydroxymethyl]piperidin-1-yl]butan-1-one
CID 111434247
(4-fluorophenyl)-[1-(2-piperidin-1-ylethyl)piperidin-4-yl]methanol
CID 111434911
N-(dicyclopropylmethyl)-4-[(4-fluorophenyl)-hydroxymethyl]piperidine-1-carboxamide
CID 111109553

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one?
The IUPAC name of (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one (CID 24879582) is (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one.
What is the SMILES notation for (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one?
The canonical SMILES for (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one is O=C1C[C@@H]([C@@H](O)c2ccc(F)cc2)CO1.
What is the InChIKey of (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one?
The InChIKey is SNMFJXASIZQLHC-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H11FO3/c12-9-3-1-7(2-4-9)11(14)8-5-10(13)15-6-8/h1-4,8,11,14H,5-6H2/t8-,11+/m1/s1.
What are the key properties of (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one?
(4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one has a molecular weight of 210.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(R)-(4-fluorophenyl)-hydroxymethyl]oxolan-2-one is sourced from PubChem (CID 24879582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).