2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate

C13H14FNO3 — CID 70354493

IUPAC2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)OCCc1cccc(F)c1
InChIInChI=1S/C13H14FNO3/c14-11-4-1-3-10(9-11)6-8-18-13(17)15-7-2-5-12(15)16/h1,3-4,9H,2,5-8H2
InChIKeyTWSPKLNJAMJHHW-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.13
Rot. Bonds3

About 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate

2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate (PubChem CID 70354493) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate.

Molecular Properties

Compound Name2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate
PubChem CID70354493
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate
SMILESO=C1CCCN1C(=O)OCCc1cccc(F)c1
InChIInChI=1S/C13H14FNO3/c14-11-4-1-3-10(9-11)6-8-18-13(17)15-7-2-5-12(15)16/h1,3-4,9H,2,5-8H2
InChIKeyTWSPKLNJAMJHHW-UHFFFAOYSA-N
XLogP2.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-fluorophenyl)-2-(2-oxopyrrolidin-1-yl)acetamide
CID 9067963
1-[(3-fluorophenyl)methyl]-3-[3-(2-oxopyrrolidin-1-yl)propyl]urea
CID 108898444
N-(1-acetyl-3,4-dihydro-2H-quinolin-7-yl)-2-(3-fluorophenyl)acetamide
CID 50832530
3-[2-(3-fluorophenyl)ethoxy]propanoic acid
CID 59296248
1-[2-(3-fluorophenyl)acetyl]-2,2-dimethylpiperidin-3-one
CID 115269279
1-[(3-fluorophenoxy)methyl]pyrrolidin-2-one
CID 70109836
3-(3-fluorophenyl)-1-[4-[2-(3-fluorophenyl)acetyl]piperazin-1-yl]propan-1-one
CID 110670217
1-[2-[(3S)-3-[2-(3-fluorophenyl)ethyl]piperidin-1-yl]-2-oxoethyl]piperidin-2-one
CID 26327850
tert-butyl 5-[(3-fluorophenyl)methyl]-6-oxo-2,3,4,4a,7,8,9,9a-octahydropyrido[3,2-b]azepine-1-carboxylate
CID 178143440
1-(2-phenylacetyl)pyrrolidin-2-one
CID 13011419
2-(3-fluorophenyl)ethylcarbamothioic S-acid
CID 115170336
1-[2-(2-amino-5-fluorophenyl)sulfanylacetyl]pyrrolidin-2-one
CID 79143623

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate?
The IUPAC name of 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate (CID 70354493) is 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate.
What is the SMILES notation for 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate?
The canonical SMILES for 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate is O=C1CCCN1C(=O)OCCc1cccc(F)c1.
What is the InChIKey of 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate?
The InChIKey is TWSPKLNJAMJHHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c14-11-4-1-3-10(9-11)6-8-18-13(17)15-7-2-5-12(15)16/h1,3-4,9H,2,5-8H2.
What are the key properties of 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate?
2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate has a molecular weight of 251.26 g/mol, XLogP of 2.13, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)ethyl 2-oxopyrrolidine-1-carboxylate is sourced from PubChem (CID 70354493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).