1-(3,4,5-trifluorophenyl)pyrrolidine

C10H10F3N — CID 67937065

IUPAC1-(3,4,5-trifluorophenyl)pyrrolidine
SMILESFc1cc(N2CCCC2)cc(F)c1F
InChIInChI=1S/C10H10F3N/c11-8-5-7(6-9(12)10(8)13)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyDWWYMINFUFOHNB-UHFFFAOYSA-N
MW201.19 g/mol
LogP2.70
Rot. Bonds1

About 1-(3,4,5-trifluorophenyl)pyrrolidine

1-(3,4,5-trifluorophenyl)pyrrolidine (PubChem CID 67937065) has the molecular formula C10H10F3N and a molecular weight of 201.19 g/mol. Its IUPAC name is 1-(3,4,5-trifluorophenyl)pyrrolidine.

Molecular Properties

Compound Name1-(3,4,5-trifluorophenyl)pyrrolidine
PubChem CID67937065
Molecular FormulaC10H10F3N
Molecular Weight201.19 g/mol
Exact Mass201.08
IUPAC Name1-(3,4,5-trifluorophenyl)pyrrolidine
SMILESFc1cc(N2CCCC2)cc(F)c1F
InChIInChI=1S/C10H10F3N/c11-8-5-7(6-9(12)10(8)13)14-3-1-2-4-14/h5-6H,1-4H2
InChIKeyDWWYMINFUFOHNB-UHFFFAOYSA-N
XLogP2.70
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.19
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4,5-trifluorophenyl)pyrrolidine?
The IUPAC name of 1-(3,4,5-trifluorophenyl)pyrrolidine (CID 67937065) is 1-(3,4,5-trifluorophenyl)pyrrolidine.
What is the SMILES notation for 1-(3,4,5-trifluorophenyl)pyrrolidine?
The canonical SMILES for 1-(3,4,5-trifluorophenyl)pyrrolidine is Fc1cc(N2CCCC2)cc(F)c1F.
What is the InChIKey of 1-(3,4,5-trifluorophenyl)pyrrolidine?
The InChIKey is DWWYMINFUFOHNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F3N/c11-8-5-7(6-9(12)10(8)13)14-3-1-2-4-14/h5-6H,1-4H2.
What are the key properties of 1-(3,4,5-trifluorophenyl)pyrrolidine?
1-(3,4,5-trifluorophenyl)pyrrolidine has a molecular weight of 201.19 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4,5-trifluorophenyl)pyrrolidine is sourced from PubChem (CID 67937065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).