benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate

C19H20FNO2 — CID 66648534

IUPACbenzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(c1ccccc1)N1CCC(F)C1
InChIInChI=1S/C19H20FNO2/c20-17-11-12-21(13-17)18(16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2
InChIKeyIMYPIYZFOJZHAJ-UHFFFAOYSA-N
MW313.37 g/mol
LogP3.51
Rot. Bonds5

About benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate

benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate (PubChem CID 66648534) has the molecular formula C19H20FNO2 and a molecular weight of 313.37 g/mol. Its IUPAC name is benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate.

Molecular Properties

Compound Namebenzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate
PubChem CID66648534
Molecular FormulaC19H20FNO2
Molecular Weight313.37 g/mol
Exact Mass313.15
IUPAC Namebenzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate
SMILESO=C(OCc1ccccc1)C(c1ccccc1)N1CCC(F)C1
InChIInChI=1S/C19H20FNO2/c20-17-11-12-21(13-17)18(16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2
InChIKeyIMYPIYZFOJZHAJ-UHFFFAOYSA-N
XLogP3.51
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.37
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate?
The IUPAC name of benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate (CID 66648534) is benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate.
What is the SMILES notation for benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate?
The canonical SMILES for benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate is O=C(OCc1ccccc1)C(c1ccccc1)N1CCC(F)C1.
What is the InChIKey of benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate?
The InChIKey is IMYPIYZFOJZHAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FNO2/c20-17-11-12-21(13-17)18(16-9-5-2-6-10-16)19(22)23-14-15-7-3-1-4-8-15/h1-10,17-18H,11-14H2.
What are the key properties of benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate?
benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate has a molecular weight of 313.37 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 2-(3-fluoropyrrolidin-1-yl)-2-phenylacetate is sourced from PubChem (CID 66648534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).