1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine

C19H19BrFN — CID 151392258

IUPAC1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
SMILESFC1CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrFN/c20-14-7-9-16(10-8-14)22-12-15(21)11-19(22)18-4-2-1-3-17(18)13-5-6-13/h1-4,7-10,13,15,19H,5-6,11-12H2
InChIKeyOURQWJIDMNEPAU-UHFFFAOYSA-N
MW360.27 g/mol
LogP5.62
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine

1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine (PubChem CID 151392258) has the molecular formula C19H19BrFN and a molecular weight of 360.27 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
PubChem CID151392258
Molecular FormulaC19H19BrFN
Molecular Weight360.27 g/mol
Exact Mass359.07
IUPAC Name1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine
SMILESFC1CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H19BrFN/c20-14-7-9-16(10-8-14)22-12-15(21)11-19(22)18-4-2-1-3-17(18)13-5-6-13/h1-4,7-10,13,15,19H,5-6,11-12H2
InChIKeyOURQWJIDMNEPAU-UHFFFAOYSA-N
XLogP5.62
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.27
LogP ≤ 55.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The IUPAC name of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine (CID 151392258) is 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine is FC1CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
The InChIKey is OURQWJIDMNEPAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19BrFN/c20-14-7-9-16(10-8-14)22-12-15(21)11-19(22)18-4-2-1-3-17(18)13-5-6-13/h1-4,7-10,13,15,19H,5-6,11-12H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine?
1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine has a molecular weight of 360.27 g/mol, XLogP of 5.62, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4-fluoropyrrolidine is sourced from PubChem (CID 151392258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).