1-(4-fluorophenoxy)pyrrolidine

C10H12FNO — CID 53393778

IUPAC1-(4-fluorophenoxy)pyrrolidine
SMILESFc1ccc(ON2CCCC2)cc1
InChIInChI=1S/C10H12FNO/c11-9-3-5-10(6-4-9)13-12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyDVBHUKSAFPHBKG-UHFFFAOYSA-N
MW181.21 g/mol
LogP2.22
Rot. Bonds2

About 1-(4-fluorophenoxy)pyrrolidine

1-(4-fluorophenoxy)pyrrolidine (PubChem CID 53393778) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 1-(4-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name1-(4-fluorophenoxy)pyrrolidine
PubChem CID53393778
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name1-(4-fluorophenoxy)pyrrolidine
SMILESFc1ccc(ON2CCCC2)cc1
InChIInChI=1S/C10H12FNO/c11-9-3-5-10(6-4-9)13-12-7-1-2-8-12/h3-6H,1-2,7-8H2
InChIKeyDVBHUKSAFPHBKG-UHFFFAOYSA-N
XLogP2.22
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 52.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenoxy)pyrrolidine?
The IUPAC name of 1-(4-fluorophenoxy)pyrrolidine (CID 53393778) is 1-(4-fluorophenoxy)pyrrolidine.
What is the SMILES notation for 1-(4-fluorophenoxy)pyrrolidine?
The canonical SMILES for 1-(4-fluorophenoxy)pyrrolidine is Fc1ccc(ON2CCCC2)cc1.
What is the InChIKey of 1-(4-fluorophenoxy)pyrrolidine?
The InChIKey is DVBHUKSAFPHBKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-9-3-5-10(6-4-9)13-12-7-1-2-8-12/h3-6H,1-2,7-8H2.
What are the key properties of 1-(4-fluorophenoxy)pyrrolidine?
1-(4-fluorophenoxy)pyrrolidine has a molecular weight of 181.21 g/mol, XLogP of 2.22, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 53393778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).