1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane

C15H23F2NO2 — CID 144985716

IUPAC1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane
SMILESC1CCOC1.COc1ccc(F)cc1.FC1CCNC1
InChIInChI=1S/C7H7FO.C4H8FN.C4H8O/c1-9-7-4-2-6(8)3-5-7;5-4-1-2-6-3-4;1-2-4-5-3-1/h2-5H,1H3;4,6H,1-3H2;1-4H2
InChIKeyNPVBZLBZZRDJPT-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.95
Rot. Bonds1

About 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane

1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane (PubChem CID 144985716) has the molecular formula C15H23F2NO2 and a molecular weight of 287.35 g/mol. Its IUPAC name is 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane.

Molecular Properties

Compound Name1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane
PubChem CID144985716
Molecular FormulaC15H23F2NO2
Molecular Weight287.35 g/mol
Exact Mass287.17
IUPAC Name1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane
SMILESC1CCOC1.COc1ccc(F)cc1.FC1CCNC1
InChIInChI=1S/C7H7FO.C4H8FN.C4H8O/c1-9-7-4-2-6(8)3-5-7;5-4-1-2-6-3-4;1-2-4-5-3-1/h2-5H,1H3;4,6H,1-3H2;1-4H2
InChIKeyNPVBZLBZZRDJPT-UHFFFAOYSA-N
XLogP2.95
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane?
The IUPAC name of 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane (CID 144985716) is 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane.
What is the SMILES notation for 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane?
The canonical SMILES for 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane is C1CCOC1.COc1ccc(F)cc1.FC1CCNC1.
What is the InChIKey of 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane?
The InChIKey is NPVBZLBZZRDJPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7FO.C4H8FN.C4H8O/c1-9-7-4-2-6(8)3-5-7;5-4-1-2-6-3-4;1-2-4-5-3-1/h2-5H,1H3;4,6H,1-3H2;1-4H2.
What are the key properties of 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane?
1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane has a molecular weight of 287.35 g/mol, XLogP of 2.95, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-4-methoxybenzene;3-fluoropyrrolidine;oxolane is sourced from PubChem (CID 144985716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).