3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

C14H12BrF3N2 — CID 123916465

IUPAC3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(Br)cc1C1(C(F)F)Cn2cccc2CN1
InChIInChI=1S/C14H12BrF3N2/c15-9-3-4-12(16)11(6-9)14(13(17)18)8-20-5-1-2-10(20)7-19-14/h1-6,13,19H,7-8H2
InChIKeyPRWQFKIQSFXAGW-UHFFFAOYSA-N
MW345.16 g/mol
LogP3.65
Rot. Bonds2

About 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine

3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (PubChem CID 123916465) has the molecular formula C14H12BrF3N2 and a molecular weight of 345.16 g/mol. Its IUPAC name is 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
PubChem CID123916465
Molecular FormulaC14H12BrF3N2
Molecular Weight345.16 g/mol
Exact Mass344.01
IUPAC Name3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
SMILESFc1ccc(Br)cc1C1(C(F)F)Cn2cccc2CN1
InChIInChI=1S/C14H12BrF3N2/c15-9-3-4-12(16)11(6-9)14(13(17)18)8-20-5-1-2-10(20)7-19-14/h1-6,13,19H,7-8H2
InChIKeyPRWQFKIQSFXAGW-UHFFFAOYSA-N
XLogP3.65
TPSA16.96 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.16
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The IUPAC name of 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine (CID 123916465) is 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine.
What is the SMILES notation for 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The canonical SMILES for 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is Fc1ccc(Br)cc1C1(C(F)F)Cn2cccc2CN1.
What is the InChIKey of 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
The InChIKey is PRWQFKIQSFXAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrF3N2/c15-9-3-4-12(16)11(6-9)14(13(17)18)8-20-5-1-2-10(20)7-19-14/h1-6,13,19H,7-8H2.
What are the key properties of 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine?
3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine has a molecular weight of 345.16 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-2-fluorophenyl)-3-(difluoromethyl)-2,4-dihydro-1H-pyrrolo[1,2-a]pyrazine is sourced from PubChem (CID 123916465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).