(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one

C11H9FO3 — CID 50917706

IUPAC(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](O)c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6,9,11,14H/t9-,11-/m0/s1
InChIKeyNMKNSTCDJKGUOF-ONGXEEELSA-N
MW208.19 g/mol
LogP1.34
Rot. Bonds2

About (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one

(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one (PubChem CID 50917706) has the molecular formula C11H9FO3 and a molecular weight of 208.19 g/mol. Its IUPAC name is (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one.

Molecular Properties

Compound Name(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
PubChem CID50917706
Molecular FormulaC11H9FO3
Molecular Weight208.19 g/mol
Exact Mass208.05
IUPAC Name(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one
SMILESO=C1C=C[C@@H]([C@@H](O)c2ccc(F)cc2)O1
InChIInChI=1S/C11H9FO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6,9,11,14H/t9-,11-/m0/s1
InChIKeyNMKNSTCDJKGUOF-ONGXEEELSA-N
XLogP1.34
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.19
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one?
The IUPAC name of (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one (CID 50917706) is (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one.
What is the SMILES notation for (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one?
The canonical SMILES for (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one is O=C1C=C[C@@H]([C@@H](O)c2ccc(F)cc2)O1.
What is the InChIKey of (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one?
The InChIKey is NMKNSTCDJKGUOF-ONGXEEELSA-N. The full InChI is InChI=1S/C11H9FO3/c12-8-3-1-7(2-4-8)11(14)9-5-6-10(13)15-9/h1-6,9,11,14H/t9-,11-/m0/s1.
What are the key properties of (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one?
(2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one has a molecular weight of 208.19 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(S)-(4-fluorophenyl)-hydroxymethyl]-2H-furan-5-one is sourced from PubChem (CID 50917706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).