4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole

C12H11F2N — CID 90396848

IUPAC4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
SMILESCc1cc(Cc2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C12H11F2N/c1-8-4-9(7-15-8)5-10-2-3-11(13)6-12(10)14/h2-4,6-7,15H,5H2,1H3
InChIKeyJHMQSDBAVYBUDQ-UHFFFAOYSA-N
MW207.22 g/mol
LogP3.19
Rot. Bonds2

About 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole

4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole (PubChem CID 90396848) has the molecular formula C12H11F2N and a molecular weight of 207.22 g/mol. Its IUPAC name is 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
PubChem CID90396848
Molecular FormulaC12H11F2N
Molecular Weight207.22 g/mol
Exact Mass207.09
IUPAC Name4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole
SMILESCc1cc(Cc2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C12H11F2N/c1-8-4-9(7-15-8)5-10-2-3-11(13)6-12(10)14/h2-4,6-7,15H,5H2,1H3
InChIKeyJHMQSDBAVYBUDQ-UHFFFAOYSA-N
XLogP3.19
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.22
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

4-[(2,4-difluorophenyl)methyl]-2-ethyl-1H-pyrrole
CID 90392865
N-[(4-fluorophenyl)methyl]-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112528395
3-fluoro-4-[(4-fluorophenyl)methyl]aniline
CID 22600023
methyl 4-[(2,4-difluorophenyl)methyl]benzoate
CID 101156425
2-[(2,4-difluorophenyl)methyl]-5-methyl-1,3,4-oxadiazole
CID 90396878
1-(2,4-difluorophenyl)-N-fluoromethanamine
CID 142839769
[3-fluoro-4-[(4-methylphenyl)methyl]phenyl]methanol
CID 91159196
2-fluoro-1,4-bis[(4-methylphenyl)methyl]benzene
CID 134273598
1-[(4-ethylphenyl)methyl]-4-fluoro-2-methylbenzene
CID 142860311
4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
CID 174923428
4-[2-(2,4-difluorophenyl)ethyl]-1H-pyrrole-2-carboxylic acid
CID 57435155
[5-[(2,4-difluorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]methanol
CID 113301765

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole?
The IUPAC name of 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole (CID 90396848) is 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole.
What is the SMILES notation for 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole?
The canonical SMILES for 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole is Cc1cc(Cc2ccc(F)cc2F)c[nH]1.
What is the InChIKey of 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole?
The InChIKey is JHMQSDBAVYBUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F2N/c1-8-4-9(7-15-8)5-10-2-3-11(13)6-12(10)14/h2-4,6-7,15H,5H2,1H3.
What are the key properties of 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole?
4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole has a molecular weight of 207.22 g/mol, XLogP of 3.19, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-difluorophenyl)methyl]-2-methyl-1H-pyrrole is sourced from PubChem (CID 90396848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).