2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole

C14H14FNO2 — CID 141369902

IUPAC2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
SMILESFc1ccc(O[C@@H]2CCOC2)c(-c2ccc[nH]2)c1
InChIInChI=1S/C14H14FNO2/c15-10-3-4-14(18-11-5-7-17-9-11)12(8-10)13-2-1-6-16-13/h1-4,6,8,11,16H,5,7,9H2/t11-/m1/s1
InChIKeyLOWLVKUVPLZCEA-LLVKDONJSA-N
MW247.27 g/mol
LogP2.99
Rot. Bonds3

About 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole

2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole (PubChem CID 141369902) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
PubChem CID141369902
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
SMILESFc1ccc(O[C@@H]2CCOC2)c(-c2ccc[nH]2)c1
InChIInChI=1S/C14H14FNO2/c15-10-3-4-14(18-11-5-7-17-9-11)12(8-10)13-2-1-6-16-13/h1-4,6,8,11,16H,5,7,9H2/t11-/m1/s1
InChIKeyLOWLVKUVPLZCEA-LLVKDONJSA-N
XLogP2.99
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The IUPAC name of 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole (CID 141369902) is 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole.
What is the SMILES notation for 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The canonical SMILES for 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole is Fc1ccc(O[C@@H]2CCOC2)c(-c2ccc[nH]2)c1.
What is the InChIKey of 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The InChIKey is LOWLVKUVPLZCEA-LLVKDONJSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-10-3-4-14(18-11-5-7-17-9-11)12(8-10)13-2-1-6-16-13/h1-4,6,8,11,16H,5,7,9H2/t11-/m1/s1.
What are the key properties of 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole has a molecular weight of 247.27 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole is sourced from PubChem (CID 141369902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).