4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid

C15H14ClFO5 — CID 144605481

IUPAC4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid
SMILESCCOC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(=O)O)O1
InChIInChI=1S/C15H14ClFO5/c1-2-21-13(18)12-7-10(8-15(17,22-12)14(19)20)9-3-5-11(16)6-4-9/h3-7,10H,2,8H2,1H3,(H,19,20)
InChIKeyWOEQKZZMTYFCJV-UHFFFAOYSA-N
MW328.72 g/mol
LogP3.04
Rot. Bonds4

About 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid

4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid (PubChem CID 144605481) has the molecular formula C15H14ClFO5 and a molecular weight of 328.72 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid.

Molecular Properties

Compound Name4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid
PubChem CID144605481
Molecular FormulaC15H14ClFO5
Molecular Weight328.72 g/mol
Exact Mass328.05
IUPAC Name4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid
SMILESCCOC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(=O)O)O1
InChIInChI=1S/C15H14ClFO5/c1-2-21-13(18)12-7-10(8-15(17,22-12)14(19)20)9-3-5-11(16)6-4-9/h3-7,10H,2,8H2,1H3,(H,19,20)
InChIKeyWOEQKZZMTYFCJV-UHFFFAOYSA-N
XLogP3.04
TPSA72.83 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.72
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid?
The IUPAC name of 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid (CID 144605481) is 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid.
What is the SMILES notation for 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid?
The canonical SMILES for 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid is CCOC(=O)C1=CC(c2ccc(Cl)cc2)CC(F)(C(=O)O)O1.
What is the InChIKey of 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid?
The InChIKey is WOEQKZZMTYFCJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO5/c1-2-21-13(18)12-7-10(8-15(17,22-12)14(19)20)9-3-5-11(16)6-4-9/h3-7,10H,2,8H2,1H3,(H,19,20).
What are the key properties of 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid?
4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid has a molecular weight of 328.72 g/mol, XLogP of 3.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-6-ethoxycarbonyl-2-fluoro-3,4-dihydropyran-2-carboxylic acid is sourced from PubChem (CID 144605481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).