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

C18H18F3NO — CID 46205373

IUPAC3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(C(F)(F)F)c2)cc1C1CCNC1
InChIInChI=1S/C18H18F3NO/c1-23-17-6-5-13(10-16(17)14-7-8-22-11-14)12-3-2-4-15(9-12)18(19,20)21/h2-6,9-10,14,22H,7-8,11H2,1H3
InChIKeyPOQLLGQFVUYJSM-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.46
Rot. Bonds3

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

3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine (PubChem CID 46205373) has the molecular formula C18H18F3NO and a molecular weight of 321.34 g/mol. Its IUPAC name is 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine.

Molecular Properties

Compound Name3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine
PubChem CID46205373
Molecular FormulaC18H18F3NO
Molecular Weight321.34 g/mol
Exact Mass321.13
IUPAC Name3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine
SMILESCOc1ccc(-c2cccc(C(F)(F)F)c2)cc1C1CCNC1
InChIInChI=1S/C18H18F3NO/c1-23-17-6-5-13(10-16(17)14-7-8-22-11-14)12-3-2-4-15(9-12)18(19,20)21/h2-6,9-10,14,22H,7-8,11H2,1H3
InChIKeyPOQLLGQFVUYJSM-UHFFFAOYSA-N
XLogP4.46
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The IUPAC name of 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine (CID 46205373) is 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine.
What is the SMILES notation for 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The canonical SMILES for 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine is COc1ccc(-c2cccc(C(F)(F)F)c2)cc1C1CCNC1.
What is the InChIKey of 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
The InChIKey is POQLLGQFVUYJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18F3NO/c1-23-17-6-5-13(10-16(17)14-7-8-22-11-14)12-3-2-4-15(9-12)18(19,20)21/h2-6,9-10,14,22H,7-8,11H2,1H3.
What are the key properties of 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine?
3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine has a molecular weight of 321.34 g/mol, XLogP of 4.46, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-methoxy-5-[3-(trifluoromethyl)phenyl]phenyl]pyrrolidine is sourced from PubChem (CID 46205373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).