3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine

C11H11F4NO — CID 83806996

IUPAC3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1OC1CCNC1
InChIInChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyHQYSMLBTFHHPFP-UHFFFAOYSA-N
MW249.21 g/mol
LogP2.59
Rot. Bonds2

About 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine

3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine (PubChem CID 83806996) has the molecular formula C11H11F4NO and a molecular weight of 249.21 g/mol. Its IUPAC name is 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine.

Molecular Properties

Compound Name3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
PubChem CID83806996
Molecular FormulaC11H11F4NO
Molecular Weight249.21 g/mol
Exact Mass249.08
IUPAC Name3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine
SMILESFc1ccc(C(F)(F)F)cc1OC1CCNC1
InChIInChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16H,3-4,6H2
InChIKeyHQYSMLBTFHHPFP-UHFFFAOYSA-N
XLogP2.59
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.21
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine?
The IUPAC name of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine (CID 83806996) is 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine.
What is the SMILES notation for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine?
The canonical SMILES for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine is Fc1ccc(C(F)(F)F)cc1OC1CCNC1.
What is the InChIKey of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine?
The InChIKey is HQYSMLBTFHHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F4NO/c12-9-2-1-7(11(13,14)15)5-10(9)17-8-3-4-16-6-8/h1-2,5,8,16H,3-4,6H2.
What are the key properties of 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine?
3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine has a molecular weight of 249.21 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-fluoro-5-(trifluoromethyl)phenoxy]pyrrolidine is sourced from PubChem (CID 83806996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).