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

C14H14FNO2 — CID 141369869

IUPAC2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
SMILESFc1cc(O[C@@H]2CCOC2)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C14H14FNO2/c15-11-6-10(14-2-1-4-16-14)7-13(8-11)18-12-3-5-17-9-12/h1-2,4,6-8,12,16H,3,5,9H2/t12-/m1/s1
InChIKeyUHAUYOZSIJTRFR-GFCCVEGCSA-N
MW247.27 g/mol
LogP2.99
Rot. Bonds3

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

2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole (PubChem CID 141369869) has the molecular formula C14H14FNO2 and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole.

Molecular Properties

Compound Name2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
PubChem CID141369869
Molecular FormulaC14H14FNO2
Molecular Weight247.27 g/mol
Exact Mass247.10
IUPAC Name2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole
SMILESFc1cc(O[C@@H]2CCOC2)cc(-c2ccc[nH]2)c1
InChIInChI=1S/C14H14FNO2/c15-11-6-10(14-2-1-4-16-14)7-13(8-11)18-12-3-5-17-9-12/h1-2,4,6-8,12,16H,3,5,9H2/t12-/m1/s1
InChIKeyUHAUYOZSIJTRFR-GFCCVEGCSA-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-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The IUPAC name of 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole (CID 141369869) is 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole.
What is the SMILES notation for 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The canonical SMILES for 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole is Fc1cc(O[C@@H]2CCOC2)cc(-c2ccc[nH]2)c1.
What is the InChIKey of 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
The InChIKey is UHAUYOZSIJTRFR-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14FNO2/c15-11-6-10(14-2-1-4-16-14)7-13(8-11)18-12-3-5-17-9-12/h1-2,4,6-8,12,16H,3,5,9H2/t12-/m1/s1.
What are the key properties of 2-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole?
2-[3-fluoro-5-[(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-[3-fluoro-5-[(3R)-oxolan-3-yl]oxyphenyl]-1H-pyrrole is sourced from PubChem (CID 141369869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).