benzyl 3-fluoro-2-hydroxypropanoate

C10H11FO3 — CID 90157190

IUPACbenzyl 3-fluoro-2-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C(O)CF
InChIInChI=1S/C10H11FO3/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyBCFGFPIKYAEZEF-UHFFFAOYSA-N
MW198.19 g/mol
LogP1.06
Rot. Bonds4

About benzyl 3-fluoro-2-hydroxypropanoate

benzyl 3-fluoro-2-hydroxypropanoate (PubChem CID 90157190) has the molecular formula C10H11FO3 and a molecular weight of 198.19 g/mol. Its IUPAC name is benzyl 3-fluoro-2-hydroxypropanoate.

Molecular Properties

Compound Namebenzyl 3-fluoro-2-hydroxypropanoate
PubChem CID90157190
Molecular FormulaC10H11FO3
Molecular Weight198.19 g/mol
Exact Mass198.07
IUPAC Namebenzyl 3-fluoro-2-hydroxypropanoate
SMILESO=C(OCc1ccccc1)C(O)CF
InChIInChI=1S/C10H11FO3/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2
InChIKeyBCFGFPIKYAEZEF-UHFFFAOYSA-N
XLogP1.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.19
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 3-fluoro-2-hydroxypropanoate?
The IUPAC name of benzyl 3-fluoro-2-hydroxypropanoate (CID 90157190) is benzyl 3-fluoro-2-hydroxypropanoate.
What is the SMILES notation for benzyl 3-fluoro-2-hydroxypropanoate?
The canonical SMILES for benzyl 3-fluoro-2-hydroxypropanoate is O=C(OCc1ccccc1)C(O)CF.
What is the InChIKey of benzyl 3-fluoro-2-hydroxypropanoate?
The InChIKey is BCFGFPIKYAEZEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FO3/c11-6-9(12)10(13)14-7-8-4-2-1-3-5-8/h1-5,9,12H,6-7H2.
What are the key properties of benzyl 3-fluoro-2-hydroxypropanoate?
benzyl 3-fluoro-2-hydroxypropanoate has a molecular weight of 198.19 g/mol, XLogP of 1.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-fluoro-2-hydroxypropanoate is sourced from PubChem (CID 90157190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).