2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine

C13H16F3N — CID 66465348

IUPAC2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
SMILESCCCC1(c2ccc(F)c(F)c2F)CCCN1
InChIInChI=1S/C13H16F3N/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)12(16)11(9)15/h4-5,17H,2-3,6-8H2,1H3
InChIKeyTZSQUBIGWYYNRV-UHFFFAOYSA-N
MW243.27 g/mol
LogP3.48
Rot. Bonds3

About 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine

2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine (PubChem CID 66465348) has the molecular formula C13H16F3N and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine.

Molecular Properties

Compound Name2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
PubChem CID66465348
Molecular FormulaC13H16F3N
Molecular Weight243.27 g/mol
Exact Mass243.12
IUPAC Name2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine
SMILESCCCC1(c2ccc(F)c(F)c2F)CCCN1
InChIInChI=1S/C13H16F3N/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)12(16)11(9)15/h4-5,17H,2-3,6-8H2,1H3
InChIKeyTZSQUBIGWYYNRV-UHFFFAOYSA-N
XLogP3.48
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 53.48
H-Bond Donors ≤ 51
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 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine?
The IUPAC name of 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine (CID 66465348) is 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine.
What is the SMILES notation for 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine?
The canonical SMILES for 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine is CCCC1(c2ccc(F)c(F)c2F)CCCN1.
What is the InChIKey of 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine?
The InChIKey is TZSQUBIGWYYNRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16F3N/c1-2-6-13(7-3-8-17-13)9-4-5-10(14)12(16)11(9)15/h4-5,17H,2-3,6-8H2,1H3.
What are the key properties of 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine?
2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine has a molecular weight of 243.27 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-2-(2,3,4-trifluorophenyl)pyrrolidine is sourced from PubChem (CID 66465348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).