benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate

C15H17FO3 — CID 15939709

IUPACbenzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@]1(F)C[C@H]2C[C@H](O)[C@@H]1C2
InChIInChI=1S/C15H17FO3/c16-15(8-11-6-12(15)13(17)7-11)14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12+,13+,15+/m1/s1
InChIKeyCWSNTAQILHJGOC-OSFYFWSMSA-N
MW264.30 g/mol
LogP2.23
Rot. Bonds3

About benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate

benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate (PubChem CID 15939709) has the molecular formula C15H17FO3 and a molecular weight of 264.30 g/mol. Its IUPAC name is benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate.

Molecular Properties

Compound Namebenzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
PubChem CID15939709
Molecular FormulaC15H17FO3
Molecular Weight264.30 g/mol
Exact Mass264.12
IUPAC Namebenzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@]1(F)C[C@H]2C[C@H](O)[C@@H]1C2
InChIInChI=1S/C15H17FO3/c16-15(8-11-6-12(15)13(17)7-11)14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12+,13+,15+/m1/s1
InChIKeyCWSNTAQILHJGOC-OSFYFWSMSA-N
XLogP2.23
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The IUPAC name of benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate (CID 15939709) is benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate.
What is the SMILES notation for benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The canonical SMILES for benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate is O=C(OCc1ccccc1)[C@]1(F)C[C@H]2C[C@H](O)[C@@H]1C2.
What is the InChIKey of benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
The InChIKey is CWSNTAQILHJGOC-OSFYFWSMSA-N. The full InChI is InChI=1S/C15H17FO3/c16-15(8-11-6-12(15)13(17)7-11)14(18)19-9-10-4-2-1-3-5-10/h1-5,11-13,17H,6-9H2/t11-,12+,13+,15+/m1/s1.
What are the key properties of benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate?
benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate has a molecular weight of 264.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (1S,2S,4R,6S)-2-fluoro-6-hydroxybicyclo[2.2.1]heptane-2-carboxylate is sourced from PubChem (CID 15939709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).