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

C11H9F2N — CID 174923428

IUPAC4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
SMILESCc1cc(-c2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C11H9F2N/c1-7-4-8(6-14-7)10-3-2-9(12)5-11(10)13/h2-6,14H,1H3
InChIKeyCQZORNXRYJECRR-UHFFFAOYSA-N
MW193.20 g/mol
LogP3.27
Rot. Bonds1

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

4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole (PubChem CID 174923428) has the molecular formula C11H9F2N and a molecular weight of 193.20 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
PubChem CID174923428
Molecular FormulaC11H9F2N
Molecular Weight193.20 g/mol
Exact Mass193.07
IUPAC Name4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole
SMILESCc1cc(-c2ccc(F)cc2F)c[nH]1
InChIInChI=1S/C11H9F2N/c1-7-4-8(6-14-7)10-3-2-9(12)5-11(10)13/h2-6,14H,1H3
InChIKeyCQZORNXRYJECRR-UHFFFAOYSA-N
XLogP3.27
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.20
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Related Compounds

Indole
CID 798
Skatole
CID 6736
Tryptamine
CID 1150
N,N-Dimethyltryptamine
CID 6089
Gramine
CID 6890
(+-)-alpha-Methyltryptamine
CID 9287
Methyltryptamine
CID 6088
Indalpine
CID 44668
Alpha-Ethyltryptamine
CID 8367
Indole-3-acetonitrile
CID 351795
N,N-Diethyltryptamine
CID 6090
1H-Indol-3-Ylmethanamine
CID 472107

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole?
The IUPAC name of 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole (CID 174923428) is 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole.
What is the SMILES notation for 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole?
The canonical SMILES for 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole is Cc1cc(-c2ccc(F)cc2F)c[nH]1.
What is the InChIKey of 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole?
The InChIKey is CQZORNXRYJECRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9F2N/c1-7-4-8(6-14-7)10-3-2-9(12)5-11(10)13/h2-6,14H,1H3.
What are the key properties of 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole?
4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole has a molecular weight of 193.20 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-2-methyl-1H-pyrrole is sourced from PubChem (CID 174923428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).