(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate

C15H17F2NO3 — CID 86073329

IUPAC(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate
SMILESCC(=O)OC(c1ccccc1)C(F)(F)C(=O)N1CCCC1
InChIInChI=1S/C15H17F2NO3/c1-11(19)21-13(12-7-3-2-4-8-12)15(16,17)14(20)18-9-5-6-10-18/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyLVXWBFWXDGEDPE-UHFFFAOYSA-N
MW297.30 g/mol
LogP2.55
Rot. Bonds4

About (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate

(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate (PubChem CID 86073329) has the molecular formula C15H17F2NO3 and a molecular weight of 297.30 g/mol. Its IUPAC name is (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate.

Molecular Properties

Compound Name(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate
PubChem CID86073329
Molecular FormulaC15H17F2NO3
Molecular Weight297.30 g/mol
Exact Mass297.12
IUPAC Name(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate
SMILESCC(=O)OC(c1ccccc1)C(F)(F)C(=O)N1CCCC1
InChIInChI=1S/C15H17F2NO3/c1-11(19)21-13(12-7-3-2-4-8-12)15(16,17)14(20)18-9-5-6-10-18/h2-4,7-8,13H,5-6,9-10H2,1H3
InChIKeyLVXWBFWXDGEDPE-UHFFFAOYSA-N
XLogP2.55
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.30
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

[(1R)-2-oxo-1-phenyl-2-pyrrolidin-1-ylethyl] acetate
CID 901702
[2-(azepan-1-yl)-1-phenylethyl] acetate
CID 3115187
[(1S,2R)-3,3,3-trifluoro-1,2-diphenylpropyl] acetate
CID 164670469
(4-acetamido-2,2-dichloro-4-methyl-3-oxo-1-phenylpentyl) acetate
CID 10247919
(2,2,2-trifluoro-1-phenylethyl) hydrogen carbonate
CID 90981293
(3,3,3-trifluoro-2-phenylpropyl) piperidine-1-carboxylate
CID 156905517
bis(2,2,2-trifluoro-1-phenylethyl) benzene-1,4-dicarboxylate
CID 91741868
2,2-difluoro-3-(2,3,4,5,6-pentaiodobenzoyl)oxy-3-phenylpropanoic acid
CID 156523244
(1-methoxy-2-phenylethyl) pyrrolidine-1-carboxylate
CID 151786501
[2-[4-(2-acetyloxy-2-phenylethyl)piperazin-1-yl]-1-phenylethyl] acetate
CID 22297806
2-methoxy-2-phenyl-1-piperidin-1-ylethanone
CID 60775756
[(1R)-1-phenylethyl] acetate;[(1S)-1-phenylethyl] acetate
CID 76968517

Frequently Asked Questions

What is the IUPAC name of (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate?
The IUPAC name of (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate (CID 86073329) is (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate.
What is the SMILES notation for (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate?
The canonical SMILES for (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate is CC(=O)OC(c1ccccc1)C(F)(F)C(=O)N1CCCC1.
What is the InChIKey of (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate?
The InChIKey is LVXWBFWXDGEDPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2NO3/c1-11(19)21-13(12-7-3-2-4-8-12)15(16,17)14(20)18-9-5-6-10-18/h2-4,7-8,13H,5-6,9-10H2,1H3.
What are the key properties of (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate?
(2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate has a molecular weight of 297.30 g/mol, XLogP of 2.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2-difluoro-3-oxo-1-phenyl-3-pyrrolidin-1-ylpropyl) acetate is sourced from PubChem (CID 86073329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).