2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid

C9H9FO4 — CID 130020906

IUPAC2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CC3C(OC(=O)C31)C2F
InChIInChI=1S/C9H9FO4/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7H,1H2,(H,11,12)
InChIKeyHUCMBBVVYJJJCT-UHFFFAOYSA-N
MW200.16 g/mol
LogP0.22
Rot. Bonds1

About 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid

2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid (PubChem CID 130020906) has the molecular formula C9H9FO4 and a molecular weight of 200.16 g/mol. Its IUPAC name is 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid.

Molecular Properties

Compound Name2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
PubChem CID130020906
Molecular FormulaC9H9FO4
Molecular Weight200.16 g/mol
Exact Mass200.05
IUPAC Name2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid
SMILESO=C(O)C1C2CC3C(OC(=O)C31)C2F
InChIInChI=1S/C9H9FO4/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7H,1H2,(H,11,12)
InChIKeyHUCMBBVVYJJJCT-UHFFFAOYSA-N
XLogP0.22
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.16
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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

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Launch Full Analysis

Related Compounds

2-oxohexahydro-2H-3,5-methanocyclopenta[b]furan-7-carboxylic acid
CID 224163
6-Hydroxyhexahydro-2H-3,5-methanocyclopenta(b)furan-2-one
CID 432639
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
Methyl 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 154713728
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
2,2,2-Trifluoroethyl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 57682224
1,1,1,3,3,3-Hexafluoropropan-2-yl 2-hydroxy-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 57682227
(1,1,1,3,3-Pentafluoro-3-oxidoperoxysulfanylpropan-2-yl) 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 57712061
[1,1,1,3,3-Pentafluoro-3-(trioxidanylsulfanyl)propan-2-yl] 5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylate
CID 57712062

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid?
The IUPAC name of 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid (CID 130020906) is 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid.
What is the SMILES notation for 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid?
The canonical SMILES for 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid is O=C(O)C1C2CC3C(OC(=O)C31)C2F.
What is the InChIKey of 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid?
The InChIKey is HUCMBBVVYJJJCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FO4/c10-6-2-1-3-5(4(2)8(11)12)9(13)14-7(3)6/h2-7H,1H2,(H,11,12).
What are the key properties of 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid?
2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid has a molecular weight of 200.16 g/mol, XLogP of 0.22, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-oxo-4-oxatricyclo[4.2.1.03,7]nonane-9-carboxylic acid is sourced from PubChem (CID 130020906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).