methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate

C13H13FO4 — CID 67550146

IUPACmethyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)c2cc(OC)c(F)cc2C1
InChIInChI=1S/C13H13FO4/c1-17-12-6-9-7(4-10(12)14)3-8(5-11(9)15)13(16)18-2/h4,6,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyMKBIOQCVNPOTBR-MRVPVSSYSA-N
MW252.24 g/mol
LogP1.75
Rot. Bonds2

About methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate

methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 67550146) has the molecular formula C13H13FO4 and a molecular weight of 252.24 g/mol. Its IUPAC name is methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
PubChem CID67550146
Molecular FormulaC13H13FO4
Molecular Weight252.24 g/mol
Exact Mass252.08
IUPAC Namemethyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)[C@H]1CC(=O)c2cc(OC)c(F)cc2C1
InChIInChI=1S/C13H13FO4/c1-17-12-6-9-7(4-10(12)14)3-8(5-11(9)15)13(16)18-2/h4,6,8H,3,5H2,1-2H3/t8-/m1/s1
InChIKeyMKBIOQCVNPOTBR-MRVPVSSYSA-N
XLogP1.75
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.24
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate (CID 67550146) is methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate is COC(=O)[C@H]1CC(=O)c2cc(OC)c(F)cc2C1.
What is the InChIKey of methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is MKBIOQCVNPOTBR-MRVPVSSYSA-N. The full InChI is InChI=1S/C13H13FO4/c1-17-12-6-9-7(4-10(12)14)3-8(5-11(9)15)13(16)18-2/h4,6,8H,3,5H2,1-2H3/t8-/m1/s1.
What are the key properties of methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate?
methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 252.24 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-7-fluoro-6-methoxy-4-oxo-2,3-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 67550146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).