1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine

C19H18BrF2N — CID 151323058

IUPAC1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H18BrF2N/c20-14-7-9-15(10-8-14)23-12-19(21,22)11-18(23)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2
InChIKeyOGWFVEMQHVHVTE-UHFFFAOYSA-N
MW378.26 g/mol
LogP5.91
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine

1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine (PubChem CID 151323058) has the molecular formula C19H18BrF2N and a molecular weight of 378.26 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine
PubChem CID151323058
Molecular FormulaC19H18BrF2N
Molecular Weight378.26 g/mol
Exact Mass377.06
IUPAC Name1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine
SMILESFC1(F)CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1
InChIInChI=1S/C19H18BrF2N/c20-14-7-9-15(10-8-14)23-12-19(21,22)11-18(23)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2
InChIKeyOGWFVEMQHVHVTE-UHFFFAOYSA-N
XLogP5.91
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.26
LogP ≤ 55.91
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)-4,4-difluoropyrrolidine?
The IUPAC name of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine (CID 151323058) is 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine?
The canonical SMILES for 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine is FC1(F)CC(c2ccccc2C2CC2)N(c2ccc(Br)cc2)C1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine?
The InChIKey is OGWFVEMQHVHVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrF2N/c20-14-7-9-15(10-8-14)23-12-19(21,22)11-18(23)17-4-2-1-3-16(17)13-5-6-13/h1-4,7-10,13,18H,5-6,11-12H2.
What are the key properties of 1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine?
1-(4-bromophenyl)-2-(2-cyclopropylphenyl)-4,4-difluoropyrrolidine has a molecular weight of 378.26 g/mol, XLogP of 5.91, 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)-4,4-difluoropyrrolidine is sourced from PubChem (CID 151323058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).