ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate

C9H13FO3 — CID 11424020

IUPACethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC[C@@H]21
InChIInChI=1S/C9H13FO3/c1-2-13-8(12)9(10)5-3-4-6(11)7(5)9/h5-7,11H,2-4H2,1H3/t5-,6-,7-,9-/m0/s1
InChIKeySNHODNFQSCLKSF-AZRUVXNYSA-N
MW188.20 g/mol
LogP0.66
Rot. Bonds2

About ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate

ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate (PubChem CID 11424020) has the molecular formula C9H13FO3 and a molecular weight of 188.20 g/mol. Its IUPAC name is ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate.

Molecular Properties

Compound Nameethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
PubChem CID11424020
Molecular FormulaC9H13FO3
Molecular Weight188.20 g/mol
Exact Mass188.08
IUPAC Nameethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
SMILESCCOC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC[C@@H]21
InChIInChI=1S/C9H13FO3/c1-2-13-8(12)9(10)5-3-4-6(11)7(5)9/h5-7,11H,2-4H2,1H3/t5-,6-,7-,9-/m0/s1
InChIKeySNHODNFQSCLKSF-AZRUVXNYSA-N
XLogP0.66
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500188.20
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate with MolForge

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Related Compounds

Ethyl 3-hydroxybicyclo(3.1.0)hexane-6-carboxylate
CID 67248504
methyl (2S)-2-fluoro-2-[(1R,2S,3R,5S)-3-hydroxy-6-oxabicyclo[3.1.0]hexan-2-yl]acetate
CID 11506604
Methyl(1R,2R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 11665535
ethyl (1R,2R,5S,6R)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 178199945
ethyl (1S,2S,5R,6S)-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 178200167
ethyl (1R,5S,6S)-6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 134895259
Ethyl 1-hydroxybicyclo[3.1.0]hexane-3-carboxylate
CID 71427974
Methyl 6-fluoro-2-hydroxy-4-oxobicyclo[3.1.0]hexane-6-carboxylate
CID 20715391
methyl (1S,2S,4R,5R)-6-fluoro-2,4-dihydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 53466234
Methyl (1S,2S,4R,5R,6S)-2-(acetyloxy)-6-fluoro-4-hydroxybicyclo [3.1.0] hexane-6-carboxylate
CID 53466235
methyl (1R,2R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 58193973
methyl (1R,4S,5S,6R)-2-acetyloxy-6-fluoro-4-hydroxybicyclo[3.1.0]hexane-6-carboxylate
CID 58193974

Frequently Asked Questions

What is the IUPAC name of ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The IUPAC name of ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate (CID 11424020) is ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate.
What is the SMILES notation for ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The canonical SMILES for ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate is CCOC(=O)[C@@]1(F)[C@@H]2[C@@H](O)CC[C@@H]21.
What is the InChIKey of ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
The InChIKey is SNHODNFQSCLKSF-AZRUVXNYSA-N. The full InChI is InChI=1S/C9H13FO3/c1-2-13-8(12)9(10)5-3-4-6(11)7(5)9/h5-7,11H,2-4H2,1H3/t5-,6-,7-,9-/m0/s1.
What are the key properties of ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate?
ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate has a molecular weight of 188.20 g/mol, XLogP of 0.66, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (1S,2S,5S,6S)-6-fluoro-2-hydroxybicyclo[3.1.0]hexane-6-carboxylate is sourced from PubChem (CID 11424020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).