ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate

C9H11FO4 — CID 54578273

IUPACethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](O)C(=O)[C@@H]21
InChIInChI=1S/C9H11FO4/c1-2-14-8(13)9(10)4-3-5(11)7(12)6(4)9/h4-6,11H,2-3H2,1H3/t4-,5-,6-,9-/m1/s1
InChIKeyWVKYMDSIEZARNK-MWKIOEHESA-N
MW202.18 g/mol
LogP-0.16
Rot. Bonds2

About ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate

ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 54578273) has the molecular formula C9H11FO4 and a molecular weight of 202.18 g/mol. Its IUPAC name is ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
PubChem CID54578273
Molecular FormulaC9H11FO4
Molecular Weight202.18 g/mol
Exact Mass202.06
IUPAC Nameethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](O)C(=O)[C@@H]21
InChIInChI=1S/C9H11FO4/c1-2-14-8(13)9(10)4-3-5(11)7(12)6(4)9/h4-6,11H,2-3H2,1H3/t4-,5-,6-,9-/m1/s1
InChIKeyWVKYMDSIEZARNK-MWKIOEHESA-N
XLogP-0.16
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.18
LogP ≤ 5-0.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

Ethyl 3-hydroxybicyclo(3.1.0)hexane-6-carboxylate
CID 67248504
Methyl(1R,2R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 11665535
ethyl (1R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 134895259
Methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 20715391
6-Fluoro-2-oxo-3-trimethylsilyloxybicyclo[3.1.0]hexane-6-carboxylic acid
CID 68227485
(1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 68227608
fluoro (1R,3R,5R,6R)-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 68227609
6-Fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylic acid
CID 68228105
methyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 68271755
methyl 2-[(1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxo-6-bicyclo[3.1.0]hexanyl]acetate
CID 68308137
(1RS,4SR,5SR,6RS)ethyl 6-fluoro-4-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 69853523
Ethyl 6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 76144374

Frequently Asked Questions

What is the IUPAC name of ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate (CID 54578273) is ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)[C@@]1(F)[C@@H]2C[C@@H](O)C(=O)[C@@H]21.
What is the InChIKey of ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is WVKYMDSIEZARNK-MWKIOEHESA-N. The full InChI is InChI=1S/C9H11FO4/c1-2-14-8(13)9(10)4-3-5(11)7(12)6(4)9/h4-6,11H,2-3H2,1H3/t4-,5-,6-,9-/m1/s1.
What are the key properties of ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 202.18 g/mol, XLogP of -0.16, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1R,3R,5R,6R)-6-fluoro-3-hydroxy-2-oxobicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 54578273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).