2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one

C14H15FO3 — CID 129252172

IUPAC2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
SMILESCC1C=CC(=O)OC1C(O)C(F)c1ccccc1
InChIInChI=1S/C14H15FO3/c1-9-7-8-11(16)18-14(9)13(17)12(15)10-5-3-2-4-6-10/h2-9,12-14,17H,1H3
InChIKeyJWDQPAPNDDOPOV-UHFFFAOYSA-N
MW250.27 g/mol
LogP2.18
Rot. Bonds3

About 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one

2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one (PubChem CID 129252172) has the molecular formula C14H15FO3 and a molecular weight of 250.27 g/mol. Its IUPAC name is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one.

Molecular Properties

Compound Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
PubChem CID129252172
Molecular FormulaC14H15FO3
Molecular Weight250.27 g/mol
Exact Mass250.10
IUPAC Name2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one
SMILESCC1C=CC(=O)OC1C(O)C(F)c1ccccc1
InChIInChI=1S/C14H15FO3/c1-9-7-8-11(16)18-14(9)13(17)12(15)10-5-3-2-4-6-10/h2-9,12-14,17H,1H3
InChIKeyJWDQPAPNDDOPOV-UHFFFAOYSA-N
XLogP2.18
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one?
The IUPAC name of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one (CID 129252172) is 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one.
What is the SMILES notation for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one?
The canonical SMILES for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one is CC1C=CC(=O)OC1C(O)C(F)c1ccccc1.
What is the InChIKey of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one?
The InChIKey is JWDQPAPNDDOPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FO3/c1-9-7-8-11(16)18-14(9)13(17)12(15)10-5-3-2-4-6-10/h2-9,12-14,17H,1H3.
What are the key properties of 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one?
2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one has a molecular weight of 250.27 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-1-hydroxy-2-phenylethyl)-3-methyl-2,3-dihydropyran-6-one is sourced from PubChem (CID 129252172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).