(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate

C11H17FO4 — CID 58391839

IUPAC(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
SMILESCC(O)(F)C(=O)OCC1CC2CC(O)C1C2
InChIInChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-7-2-6-3-8(7)9(13)4-6/h6-9,13,15H,2-5H2,1H3
InChIKeyBWIYTDNYQMEPOR-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.61
Rot. Bonds3

About (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate

(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate (PubChem CID 58391839) has the molecular formula C11H17FO4 and a molecular weight of 232.25 g/mol. Its IUPAC name is (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate.

Molecular Properties

Compound Name(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
PubChem CID58391839
Molecular FormulaC11H17FO4
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
SMILESCC(O)(F)C(=O)OCC1CC2CC(O)C1C2
InChIInChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-7-2-6-3-8(7)9(13)4-6/h6-9,13,15H,2-5H2,1H3
InChIKeyBWIYTDNYQMEPOR-UHFFFAOYSA-N
XLogP0.61
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.25
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The IUPAC name of (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate (CID 58391839) is (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate.
What is the SMILES notation for (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The canonical SMILES for (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate is CC(O)(F)C(=O)OCC1CC2CC(O)C1C2.
What is the InChIKey of (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The InChIKey is BWIYTDNYQMEPOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-7-2-6-3-8(7)9(13)4-6/h6-9,13,15H,2-5H2,1H3.
What are the key properties of (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
(6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate has a molecular weight of 232.25 g/mol, XLogP of 0.61, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate is sourced from PubChem (CID 58391839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).