1-(difluoromethyl)-2,5-dimethylpyrrole

C7H9F2N — CID 146323567

IUPAC1-(difluoromethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1C(F)F
InChIInChI=1S/C7H9F2N/c1-5-3-4-6(2)10(5)7(8)9/h3-4,7H,1-2H3
InChIKeyKHZCIMICIJZBIO-UHFFFAOYSA-N
MW145.15 g/mol
LogP2.50
Rot. Bonds1

About 1-(difluoromethyl)-2,5-dimethylpyrrole

1-(difluoromethyl)-2,5-dimethylpyrrole (PubChem CID 146323567) has the molecular formula C7H9F2N and a molecular weight of 145.15 g/mol. Its IUPAC name is 1-(difluoromethyl)-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-(difluoromethyl)-2,5-dimethylpyrrole
PubChem CID146323567
Molecular FormulaC7H9F2N
Molecular Weight145.15 g/mol
Exact Mass145.07
IUPAC Name1-(difluoromethyl)-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1C(F)F
InChIInChI=1S/C7H9F2N/c1-5-3-4-6(2)10(5)7(8)9/h3-4,7H,1-2H3
InChIKeyKHZCIMICIJZBIO-UHFFFAOYSA-N
XLogP2.50
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.15
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(difluoromethyl)-2,5-dimethylpyrrole 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 1-(difluoromethyl)-2,5-dimethylpyrrole?
The IUPAC name of 1-(difluoromethyl)-2,5-dimethylpyrrole (CID 146323567) is 1-(difluoromethyl)-2,5-dimethylpyrrole.
What is the SMILES notation for 1-(difluoromethyl)-2,5-dimethylpyrrole?
The canonical SMILES for 1-(difluoromethyl)-2,5-dimethylpyrrole is Cc1ccc(C)n1C(F)F.
What is the InChIKey of 1-(difluoromethyl)-2,5-dimethylpyrrole?
The InChIKey is KHZCIMICIJZBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N/c1-5-3-4-6(2)10(5)7(8)9/h3-4,7H,1-2H3.
What are the key properties of 1-(difluoromethyl)-2,5-dimethylpyrrole?
1-(difluoromethyl)-2,5-dimethylpyrrole has a molecular weight of 145.15 g/mol, XLogP of 2.50, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-2,5-dimethylpyrrole is sourced from PubChem (CID 146323567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).