1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine

C15H8F15N — CID 168512947

IUPAC1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1c(N2CCCC2)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C15H8F15N/c16-11(17,18)5-6(12(19,20)21)8(14(25,26)27)10(31-3-1-2-4-31)9(15(28,29)30)7(5)13(22,23)24/h1-4H2
InChIKeySFKCQKJBOPDSFR-UHFFFAOYSA-N
MW487.21 g/mol
LogP7.38
Rot. Bonds1

About 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine

1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 168512947) has the molecular formula C15H8F15N and a molecular weight of 487.21 g/mol. Its IUPAC name is 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine
PubChem CID168512947
Molecular FormulaC15H8F15N
Molecular Weight487.21 g/mol
Exact Mass487.04
IUPAC Name1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1c(N2CCCC2)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F
InChIInChI=1S/C15H8F15N/c16-11(17,18)5-6(12(19,20)21)8(14(25,26)27)10(31-3-1-2-4-31)9(15(28,29)30)7(5)13(22,23)24/h1-4H2
InChIKeySFKCQKJBOPDSFR-UHFFFAOYSA-N
XLogP7.38
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.21
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine (CID 168512947) is 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1c(N2CCCC2)c(C(F)(F)F)c(C(F)(F)F)c(C(F)(F)F)c1C(F)(F)F.
What is the InChIKey of 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is SFKCQKJBOPDSFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F15N/c16-11(17,18)5-6(12(19,20)21)8(14(25,26)27)10(31-3-1-2-4-31)9(15(28,29)30)7(5)13(22,23)24/h1-4H2.
What are the key properties of 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine?
1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 487.21 g/mol, XLogP of 7.38, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2,3,4,5,6-pentakis(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 168512947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).