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

C11H17FO4 — CID 58391836

IUPAC(5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
SMILESCC(O)(F)C(=O)OCC1CC2CC1CC2O
InChIInChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-8-3-7-2-6(8)4-9(7)13/h6-9,13,15H,2-5H2,1H3
InChIKeyASHLVINHNAZDCZ-UHFFFAOYSA-N
MW232.25 g/mol
LogP0.61
Rot. Bonds3

About (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate

(5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate (PubChem CID 58391836) has the molecular formula C11H17FO4 and a molecular weight of 232.25 g/mol. Its IUPAC name is (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate.

Molecular Properties

Compound Name(5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
PubChem CID58391836
Molecular FormulaC11H17FO4
Molecular Weight232.25 g/mol
Exact Mass232.11
IUPAC Name(5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate
SMILESCC(O)(F)C(=O)OCC1CC2CC1CC2O
InChIInChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-8-3-7-2-6(8)4-9(7)13/h6-9,13,15H,2-5H2,1H3
InChIKeyASHLVINHNAZDCZ-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 (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The IUPAC name of (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate (CID 58391836) is (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate.
What is the SMILES notation for (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The canonical SMILES for (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate is CC(O)(F)C(=O)OCC1CC2CC1CC2O.
What is the InChIKey of (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
The InChIKey is ASHLVINHNAZDCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FO4/c1-11(12,15)10(14)16-5-8-3-7-2-6(8)4-9(7)13/h6-9,13,15H,2-5H2,1H3.
What are the key properties of (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate?
(5-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 (5-hydroxy-2-bicyclo[2.2.1]heptanyl)methyl 2-fluoro-2-hydroxypropanoate is sourced from PubChem (CID 58391836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).