1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole

C15H17F2N — CID 116790655

IUPAC1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole
SMILESCc1cn(CC(F)(F)c2ccccc2)c(C)c1C
InChIInChI=1S/C15H17F2N/c1-11-9-18(13(3)12(11)2)10-15(16,17)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyKNRLJQDIXIZBFD-UHFFFAOYSA-N
MW249.30 g/mol
LogP4.21
Rot. Bonds3

About 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole

1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole (PubChem CID 116790655) has the molecular formula C15H17F2N and a molecular weight of 249.30 g/mol. Its IUPAC name is 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole.

Molecular Properties

Compound Name1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole
PubChem CID116790655
Molecular FormulaC15H17F2N
Molecular Weight249.30 g/mol
Exact Mass249.13
IUPAC Name1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole
SMILESCc1cn(CC(F)(F)c2ccccc2)c(C)c1C
InChIInChI=1S/C15H17F2N/c1-11-9-18(13(3)12(11)2)10-15(16,17)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3
InChIKeyKNRLJQDIXIZBFD-UHFFFAOYSA-N
XLogP4.21
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.30
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole 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

1-(2,2-difluoro-2-phenylethyl)-5-methylpyrimidine-2,4-dione
CID 116790659
2,3,4-trimethyl-1-[(2-methylphenyl)methyl]pyrrole
CID 63926468
[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]methanamine
CID 116790149
1-[1-(2,2-difluoro-2-phenylethyl)pyrrol-2-yl]-N-methylethanamine
CID 116790170
[1-(2,2-difluoro-2-phenylethyl)indol-3-yl]methanamine
CID 116790148
ethane;bis(trifluoromethylbenzene)
CID 142912000
1-(2,2-difluoro-2-phenylethyl)-7-ethylindole
CID 116790673
1-(2,2-difluoro-2-phenylethyl)-2-ethylimidazole-4-sulfonyl chloride
CID 116790221
1-(2,2-difluoro-2-phenylethyl)piperidine
CID 70652192
1-(2,2-difluoro-2-phenylethyl)-2-methylbenzimidazole
CID 116790662
3-(2,2-difluoro-2-phenylethyl)-1-ethyl-5-iodopyrimidine-2,4-dione
CID 116790908
2-bromo-N-(2,2-difluoro-2-phenylethyl)-3-methylaniline
CID 116789222

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole?
The IUPAC name of 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole (CID 116790655) is 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole.
What is the SMILES notation for 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole?
The canonical SMILES for 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole is Cc1cn(CC(F)(F)c2ccccc2)c(C)c1C.
What is the InChIKey of 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole?
The InChIKey is KNRLJQDIXIZBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N/c1-11-9-18(13(3)12(11)2)10-15(16,17)14-7-5-4-6-8-14/h4-9H,10H2,1-3H3.
What are the key properties of 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole?
1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole has a molecular weight of 249.30 g/mol, XLogP of 4.21, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-difluoro-2-phenylethyl)-2,3,4-trimethylpyrrole is sourced from PubChem (CID 116790655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).