1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine

C12H11F6N — CID 2803777

IUPAC1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(N2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h5-7H,1-4H2
InChIKeyPGIFVSNBVXGSNX-UHFFFAOYSA-N
MW283.22 g/mol
LogP4.32
Rot. Bonds1

About 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine

1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine (PubChem CID 2803777) has the molecular formula C12H11F6N and a molecular weight of 283.22 g/mol. Its IUPAC name is 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine.

Molecular Properties

Compound Name1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine
PubChem CID2803777
Molecular FormulaC12H11F6N
Molecular Weight283.22 g/mol
Exact Mass283.08
IUPAC Name1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine
SMILESFC(F)(F)c1cc(N2CCCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H11F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h5-7H,1-4H2
InChIKeyPGIFVSNBVXGSNX-UHFFFAOYSA-N
XLogP4.32
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.22
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The IUPAC name of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine (CID 2803777) is 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine.
What is the SMILES notation for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The canonical SMILES for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine is FC(F)(F)c1cc(N2CCCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
The InChIKey is PGIFVSNBVXGSNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F6N/c13-11(14,15)8-5-9(12(16,17)18)7-10(6-8)19-3-1-2-4-19/h5-7H,1-4H2.
What are the key properties of 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine?
1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine has a molecular weight of 283.22 g/mol, XLogP of 4.32, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-bis(trifluoromethyl)phenyl]pyrrolidine is sourced from PubChem (CID 2803777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).