5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole

C14H11F2NS — CID 58817498

IUPAC5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2cccs2)CC1
InChIInChI=1S/C14H11F2NS/c15-9-3-1-4-10(16)14(9)12-7-6-11(17-12)13-5-2-8-18-13/h1-5,8,11H,6-7H2
InChIKeyWOMRZJKVUFPFNU-UHFFFAOYSA-N
MW263.31 g/mol
LogP4.35
Rot. Bonds2

About 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole

5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 58817498) has the molecular formula C14H11F2NS and a molecular weight of 263.31 g/mol. Its IUPAC name is 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID58817498
Molecular FormulaC14H11F2NS
Molecular Weight263.31 g/mol
Exact Mass263.06
IUPAC Name5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1cccc(F)c1C1=NC(c2cccs2)CC1
InChIInChI=1S/C14H11F2NS/c15-9-3-1-4-10(16)14(9)12-7-6-11(17-12)13-5-2-8-18-13/h1-5,8,11H,6-7H2
InChIKeyWOMRZJKVUFPFNU-UHFFFAOYSA-N
XLogP4.35
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.31
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole (CID 58817498) is 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole is Fc1cccc(F)c1C1=NC(c2cccs2)CC1.
What is the InChIKey of 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is WOMRZJKVUFPFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2NS/c15-9-3-1-4-10(16)14(9)12-7-6-11(17-12)13-5-2-8-18-13/h1-5,8,11H,6-7H2.
What are the key properties of 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 263.31 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 58817498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).