methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

C10H11FO4 — CID 154713728

IUPACmethyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC(=O)C1C2CC3C(OC(=O)C31)C2F
InChIInChI=1S/C10H11FO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3
InChIKeyQRTNQJNJGWFHKH-UHFFFAOYSA-N
MW214.19 g/mol
LogP0.31
Rot. Bonds1

About methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate

methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (PubChem CID 154713728) has the molecular formula C10H11FO4 and a molecular weight of 214.19 g/mol. Its IUPAC name is methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.

Molecular Properties

Compound Namemethyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
PubChem CID154713728
Molecular FormulaC10H11FO4
Molecular Weight214.19 g/mol
Exact Mass214.06
IUPAC Namemethyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
SMILESCOC(=O)C1C2CC3C(OC(=O)C31)C2F
InChIInChI=1S/C10H11FO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3
InChIKeyQRTNQJNJGWFHKH-UHFFFAOYSA-N
XLogP0.31
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 50.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate with MolForge

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Related Compounds

2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
CID 224163
2-Iodo-5-oxo-4-oxa-tricyclo(4.2.1.0(3,7))nonane-9-carboxylic acid
CID 548743
3,5-Methano-2H-cyclopenta[b]furan-7-carboxylic acid, hexahydro-6-iodo-2-oxo-, methyl ester
CID 360982
dimethyl (1R,2R,4S,5R,6S,7R)-3-oxatricyclo[3.2.1.02,4]octane-6,7-dicarboxylate
CID 90679335
2-Fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
CID 130020906
6-Hydroxy-2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
CID 3982632
6a-Methyl-2-oxohexahydro-2h-3,5-methanocyclopenta[b]furan-7-carboxylic acid
CID 275499
Hydroxy-4-oxatricyclo-[4,2,1,0 3,7]-nonan-5-one
CID 129740100
3,5-Methano-2h-cyclopenta[b]furan-2-one,6-fluorohexahydro-
CID 45090620
8-Fluoro-4-oxatricyclo[4.2.1.03,7]nonan-5-one
CID 45090622
(5-Oxo-4-oxatricyclo[4.2.1.03,7]nonan-2-yl) 2-methyl-2-(trifluoromethyl)butanoate
CID 20758448
1,1,3,3,3-Pentafluoro-2-(5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carbonyl)oxypropane-1-sulfonate
CID 57673564

Frequently Asked Questions

What is the IUPAC name of methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The IUPAC name of methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate (CID 154713728) is methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate.
What is the SMILES notation for methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The canonical SMILES for methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is COC(=O)C1C2CC3C(OC(=O)C31)C2F.
What is the InChIKey of methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
The InChIKey is QRTNQJNJGWFHKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO4/c1-14-9(12)5-3-2-4-6(5)10(13)15-8(4)7(3)11/h3-8H,2H2,1H3.
What are the key properties of methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate?
methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate has a molecular weight of 214.19 g/mol, XLogP of 0.31, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate is sourced from PubChem (CID 154713728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).