3-(3-fluorophenoxy)pyrrolidine

C10H12FNO — CID 45075501

IUPAC3-(3-fluorophenoxy)pyrrolidine
SMILESFc1cccc(OC2CCNC2)c1
InChIInChI=1S/C10H12FNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2
InChIKeyAKHGRTYTFZRUHJ-UHFFFAOYSA-N
MW181.21 g/mol
LogP1.57
Rot. Bonds2

About 3-(3-fluorophenoxy)pyrrolidine

3-(3-fluorophenoxy)pyrrolidine (PubChem CID 45075501) has the molecular formula C10H12FNO and a molecular weight of 181.21 g/mol. Its IUPAC name is 3-(3-fluorophenoxy)pyrrolidine.

Molecular Properties

Compound Name3-(3-fluorophenoxy)pyrrolidine
PubChem CID45075501
Molecular FormulaC10H12FNO
Molecular Weight181.21 g/mol
Exact Mass181.09
IUPAC Name3-(3-fluorophenoxy)pyrrolidine
SMILESFc1cccc(OC2CCNC2)c1
InChIInChI=1S/C10H12FNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2
InChIKeyAKHGRTYTFZRUHJ-UHFFFAOYSA-N
XLogP1.57
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.21
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluorophenoxy)pyrrolidine?
The IUPAC name of 3-(3-fluorophenoxy)pyrrolidine (CID 45075501) is 3-(3-fluorophenoxy)pyrrolidine.
What is the SMILES notation for 3-(3-fluorophenoxy)pyrrolidine?
The canonical SMILES for 3-(3-fluorophenoxy)pyrrolidine is Fc1cccc(OC2CCNC2)c1.
What is the InChIKey of 3-(3-fluorophenoxy)pyrrolidine?
The InChIKey is AKHGRTYTFZRUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO/c11-8-2-1-3-9(6-8)13-10-4-5-12-7-10/h1-3,6,10,12H,4-5,7H2.
What are the key properties of 3-(3-fluorophenoxy)pyrrolidine?
3-(3-fluorophenoxy)pyrrolidine has a molecular weight of 181.21 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluorophenoxy)pyrrolidine is sourced from PubChem (CID 45075501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).