3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine

C18H18F3NO2 — CID 46205375

IUPAC3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C1CCNC1
InChIInChI=1S/C18H18F3NO2/c1-23-16-7-6-12(10-15(16)13-8-9-22-11-13)14-4-2-3-5-17(14)24-18(19,20)21/h2-7,10,13,22H,8-9,11H2,1H3
InChIKeyUZVDGOVSKMTGSP-UHFFFAOYSA-N
MW337.34 g/mol
LogP4.34
Rot. Bonds4

About 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine

3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine (PubChem CID 46205375) has the molecular formula C18H18F3NO2 and a molecular weight of 337.34 g/mol. Its IUPAC name is 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine
PubChem CID46205375
Molecular FormulaC18H18F3NO2
Molecular Weight337.34 g/mol
Exact Mass337.13
IUPAC Name3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine
SMILESCOc1ccc(-c2ccccc2OC(F)(F)F)cc1C1CCNC1
InChIInChI=1S/C18H18F3NO2/c1-23-16-7-6-12(10-15(16)13-8-9-22-11-13)14-4-2-3-5-17(14)24-18(19,20)21/h2-7,10,13,22H,8-9,11H2,1H3
InChIKeyUZVDGOVSKMTGSP-UHFFFAOYSA-N
XLogP4.34
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine?
The IUPAC name of 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine (CID 46205375) is 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine?
The canonical SMILES for 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine is COc1ccc(-c2ccccc2OC(F)(F)F)cc1C1CCNC1.
What is the InChIKey of 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine?
The InChIKey is UZVDGOVSKMTGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO2/c1-23-16-7-6-12(10-15(16)13-8-9-22-11-13)14-4-2-3-5-17(14)24-18(19,20)21/h2-7,10,13,22H,8-9,11H2,1H3.
What are the key properties of 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine?
3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine has a molecular weight of 337.34 g/mol, XLogP of 4.34, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[2-(trifluoromethoxy)phenyl]phenyl]pyrrolidine is sourced from PubChem (CID 46205375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).