(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate

C14H14FNO3 — CID 158543366

IUPAC(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate
SMILESCC(=O)OC1(F)C=C(c2ccccc2)N(C(C)=O)C1
InChIInChI=1S/C14H14FNO3/c1-10(17)16-9-14(15,19-11(2)18)8-13(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyHOUOPLXPLYLYQC-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.12
Rot. Bonds2

About (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate

(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate (PubChem CID 158543366) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate.

Molecular Properties

Compound Name(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate
PubChem CID158543366
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Name(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate
SMILESCC(=O)OC1(F)C=C(c2ccccc2)N(C(C)=O)C1
InChIInChI=1S/C14H14FNO3/c1-10(17)16-9-14(15,19-11(2)18)8-13(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3
InChIKeyHOUOPLXPLYLYQC-UHFFFAOYSA-N
XLogP2.12
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate?
The IUPAC name of (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate (CID 158543366) is (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate.
What is the SMILES notation for (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate?
The canonical SMILES for (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate is CC(=O)OC1(F)C=C(c2ccccc2)N(C(C)=O)C1.
What is the InChIKey of (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate?
The InChIKey is HOUOPLXPLYLYQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-10(17)16-9-14(15,19-11(2)18)8-13(16)12-6-4-3-5-7-12/h3-8H,9H2,1-2H3.
What are the key properties of (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate?
(1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate has a molecular weight of 263.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1-acetyl-3-fluoro-5-phenyl-2H-pyrrol-3-yl) acetate is sourced from PubChem (CID 158543366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).