methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

C12H11FO3 — CID 58406815

IUPACmethyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C(F)CC2
InChIInChI=1S/C12H11FO3/c1-16-12(15)8-3-2-7-4-5-10(13)11(14)9(7)6-8/h2-3,6,10H,4-5H2,1H3
InChIKeyFDPJNRUAKLWAQG-UHFFFAOYSA-N
MW222.22 g/mol
LogP1.94
Rot. Bonds1

About methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate

methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate (PubChem CID 58406815) has the molecular formula C12H11FO3 and a molecular weight of 222.22 g/mol. Its IUPAC name is methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
PubChem CID58406815
Molecular FormulaC12H11FO3
Molecular Weight222.22 g/mol
Exact Mass222.07
IUPAC Namemethyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate
SMILESCOC(=O)c1ccc2c(c1)C(=O)C(F)CC2
InChIInChI=1S/C12H11FO3/c1-16-12(15)8-3-2-7-4-5-10(13)11(14)9(7)6-8/h2-3,6,10H,4-5H2,1H3
InChIKeyFDPJNRUAKLWAQG-UHFFFAOYSA-N
XLogP1.94
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.22
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

methyl (3R)-3-hydroxy-2,3-dihydro-1H-indene-5-carboxylate
CID 155905494
methyl 3-(methylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 59505320
methyl 8-(oxan-4-yl)-5,6-dihydronaphthalene-2-carboxylate
CID 58406691
methyl 2-methoxy-2,3-dihydro-1H-indole-6-carboxylate
CID 91608162
methyl 4-[hydroxy-(5,5,8,8-tetramethyl-1-oxo-3,4,6,7-tetrahydro-2H-anthracen-2-yl)methyl]benzoate
CID 10251583
methyl 13-hydroxytricyclo[9.4.0.02,7]pentadeca-1(11),2(7),3,5,12,14-hexaene-4-carboxylate
CID 118619357
6-methoxycarbonyl-1,2,3,4-tetrahydronaphthalene-2-carboxylate
CID 71383857
methyl (3R)-3-(propan-2-ylamino)-2,3-dihydro-1H-indene-5-carboxylate
CID 66805276
methyl 8-hydroxy-7-isocyano-5,6-dihydronaphthalene-2-carboxylate
CID 140747764
methyl 2-oxotricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaene-6-carboxylate
CID 18998711
methyl 1-formyl-2,3-dihydro-1H-indene-5-carboxylate
CID 86071683
methyl 2-propyl-1,2,3,4-tetrahydroquinoline-7-carboxylate
CID 86099354

Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The IUPAC name of methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate (CID 58406815) is methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate is COC(=O)c1ccc2c(c1)C(=O)C(F)CC2.
What is the InChIKey of methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
The InChIKey is FDPJNRUAKLWAQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FO3/c1-16-12(15)8-3-2-7-4-5-10(13)11(14)9(7)6-8/h2-3,6,10H,4-5H2,1H3.
What are the key properties of methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate?
methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate has a molecular weight of 222.22 g/mol, XLogP of 1.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-8-oxo-6,7-dihydro-5H-naphthalene-2-carboxylate is sourced from PubChem (CID 58406815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).