benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate

C12H13F2NO2 — CID 54184286

IUPACbenzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C12H13F2NO2/c13-12(14)6-10(15-8-12)11(16)17-7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2/t10-/m1/s1
InChIKeyPEACVJWGWBHGCR-SNVBAGLBSA-N
MW241.24 g/mol
LogP1.73
Rot. Bonds3

About benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate

benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate (PubChem CID 54184286) has the molecular formula C12H13F2NO2 and a molecular weight of 241.24 g/mol. Its IUPAC name is benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate.

Molecular Properties

Compound Namebenzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate
PubChem CID54184286
Molecular FormulaC12H13F2NO2
Molecular Weight241.24 g/mol
Exact Mass241.09
IUPAC Namebenzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate
SMILESO=C(OCc1ccccc1)[C@H]1CC(F)(F)CN1
InChIInChI=1S/C12H13F2NO2/c13-12(14)6-10(15-8-12)11(16)17-7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2/t10-/m1/s1
InChIKeyPEACVJWGWBHGCR-SNVBAGLBSA-N
XLogP1.73
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate?
The IUPAC name of benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate (CID 54184286) is benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate.
What is the SMILES notation for benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate?
The canonical SMILES for benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate is O=C(OCc1ccccc1)[C@H]1CC(F)(F)CN1.
What is the InChIKey of benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate?
The InChIKey is PEACVJWGWBHGCR-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H13F2NO2/c13-12(14)6-10(15-8-12)11(16)17-7-9-4-2-1-3-5-9/h1-5,10,15H,6-8H2/t10-/m1/s1.
What are the key properties of benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate?
benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate has a molecular weight of 241.24 g/mol, XLogP of 1.73, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl (2R)-4,4-difluoropyrrolidine-2-carboxylate is sourced from PubChem (CID 54184286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).