2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine

C18H15F6NO — CID 87580183

IUPAC2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)Oc1cccc(C2CCC(c3ccc(C(F)(F)F)cc3)N2)c1
InChIInChI=1S/C18H15F6NO/c19-17(20,21)13-6-4-11(5-7-13)15-8-9-16(25-15)12-2-1-3-14(10-12)26-18(22,23)24/h1-7,10,15-16,25H,8-9H2
InChIKeyNUKFAPVKDHZCOR-UHFFFAOYSA-N
MW375.31 g/mol
LogP5.77
Rot. Bonds3

About 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine

2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 87580183) has the molecular formula C18H15F6NO and a molecular weight of 375.31 g/mol. Its IUPAC name is 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine
PubChem CID87580183
Molecular FormulaC18H15F6NO
Molecular Weight375.31 g/mol
Exact Mass375.11
IUPAC Name2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)Oc1cccc(C2CCC(c3ccc(C(F)(F)F)cc3)N2)c1
InChIInChI=1S/C18H15F6NO/c19-17(20,21)13-6-4-11(5-7-13)15-8-9-16(25-15)12-2-1-3-14(10-12)26-18(22,23)24/h1-7,10,15-16,25H,8-9H2
InChIKeyNUKFAPVKDHZCOR-UHFFFAOYSA-N
XLogP5.77
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.31
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine (CID 87580183) is 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)Oc1cccc(C2CCC(c3ccc(C(F)(F)F)cc3)N2)c1.
What is the InChIKey of 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is NUKFAPVKDHZCOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F6NO/c19-17(20,21)13-6-4-11(5-7-13)15-8-9-16(25-15)12-2-1-3-14(10-12)26-18(22,23)24/h1-7,10,15-16,25H,8-9H2.
What are the key properties of 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine?
2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 375.31 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethoxy)phenyl]-5-[4-(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 87580183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).