2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid

C15H20FNO3 — CID 72872296

IUPAC2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid
SMILESCC(C)Oc1cccc(F)c1C(C(=O)O)N1CCCC1
InChIInChI=1S/C15H20FNO3/c1-10(2)20-12-7-5-6-11(16)13(12)14(15(18)19)17-8-3-4-9-17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyQDPBYQZPBFMRCN-UHFFFAOYSA-N
MW281.33 g/mol
LogP2.83
Rot. Bonds5

About 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid

2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid (PubChem CID 72872296) has the molecular formula C15H20FNO3 and a molecular weight of 281.33 g/mol. Its IUPAC name is 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid.

Molecular Properties

Compound Name2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid
PubChem CID72872296
Molecular FormulaC15H20FNO3
Molecular Weight281.33 g/mol
Exact Mass281.14
IUPAC Name2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid
SMILESCC(C)Oc1cccc(F)c1C(C(=O)O)N1CCCC1
InChIInChI=1S/C15H20FNO3/c1-10(2)20-12-7-5-6-11(16)13(12)14(15(18)19)17-8-3-4-9-17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,18,19)
InChIKeyQDPBYQZPBFMRCN-UHFFFAOYSA-N
XLogP2.83
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid?
The IUPAC name of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid (CID 72872296) is 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid.
What is the SMILES notation for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid?
The canonical SMILES for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid is CC(C)Oc1cccc(F)c1C(C(=O)O)N1CCCC1.
What is the InChIKey of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid?
The InChIKey is QDPBYQZPBFMRCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FNO3/c1-10(2)20-12-7-5-6-11(16)13(12)14(15(18)19)17-8-3-4-9-17/h5-7,10,14H,3-4,8-9H2,1-2H3,(H,18,19).
What are the key properties of 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid?
2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid has a molecular weight of 281.33 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylacetic acid is sourced from PubChem (CID 72872296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).