1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole

C13H13F2N — CID 19986378

IUPAC1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N/c1-9-3-4-10(2)16(9)8-11-5-6-12(14)7-13(11)15/h3-7H,8H2,1-2H3
InChIKeyPNSQYNVFXRVIAK-UHFFFAOYSA-N
MW221.25 g/mol
LogP3.43
Rot. Bonds2

About 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole

1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole (PubChem CID 19986378) has the molecular formula C13H13F2N and a molecular weight of 221.25 g/mol. Its IUPAC name is 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole.

Molecular Properties

Compound Name1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
PubChem CID19986378
Molecular FormulaC13H13F2N
Molecular Weight221.25 g/mol
Exact Mass221.10
IUPAC Name1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole
SMILESCc1ccc(C)n1Cc1ccc(F)cc1F
InChIInChI=1S/C13H13F2N/c1-9-3-4-10(2)16(9)8-11-5-6-12(14)7-13(11)15/h3-7H,8H2,1-2H3
InChIKeyPNSQYNVFXRVIAK-UHFFFAOYSA-N
XLogP3.43
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.25
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[(2,4-difluorophenyl)methyl]-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

Related Compounds

2-amino-1-[(2,4-difluorophenyl)methyl]-4,5-dimethylpyrrole-3-carbonitrile
CID 55052993
1-[(2,4-difluorophenyl)methyl]-4-methylimidazole
CID 130254978
1-[(2,4-difluorophenyl)methyl]-4-methylpiperazine
CID 763846
1-[(2,4-difluorophenyl)methyl]-6-iodo-2-methylimidazo[4,5-b]pyridine
CID 138522563
3-[(2,4-difluorophenyl)methyl]-5-iodo-1-methylpyrimidine-2,4-dione
CID 79785335
ethyl 4-[(2,4-difluorophenyl)methyl]-5-methyl-1,2,4-triazole-3-carboxylate
CID 83231960
1-[(2,4-difluorophenyl)methyl]-5-methyltriazol-4-amine
CID 79541938
1-[(2,4-difluorophenyl)methyl]-5,5-dimethyl-1,3-diazinane-2,4,6-trione
CID 115947831
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
1-[(4-fluoro-2-methylphenyl)methyl]-6-methyl-2-oxopyridine-3-carbonitrile
CID 107072773
1-[(2,4-difluorophenyl)methyl]-3-ethylpyrrole
CID 91455991
CID 58696093
CID 58696093

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole?
The IUPAC name of 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole (CID 19986378) is 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole.
What is the SMILES notation for 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole?
The canonical SMILES for 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole is Cc1ccc(C)n1Cc1ccc(F)cc1F.
What is the InChIKey of 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole?
The InChIKey is PNSQYNVFXRVIAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N/c1-9-3-4-10(2)16(9)8-11-5-6-12(14)7-13(11)15/h3-7H,8H2,1-2H3.
What are the key properties of 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole?
1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole has a molecular weight of 221.25 g/mol, XLogP of 3.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-difluorophenyl)methyl]-2,5-dimethylpyrrole is sourced from PubChem (CID 19986378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).