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

C14H12FNS — CID 18182759

IUPAC5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(c3cccs3)CC2)cc1
InChIInChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,13H,7-8H2
InChIKeyGZAIELLMKGLOJA-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.21
Rot. Bonds2

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

5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole (PubChem CID 18182759) has the molecular formula C14H12FNS and a molecular weight of 245.32 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
PubChem CID18182759
Molecular FormulaC14H12FNS
Molecular Weight245.32 g/mol
Exact Mass245.07
IUPAC Name5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole
SMILESFc1ccc(C2=NC(c3cccs3)CC2)cc1
InChIInChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,13H,7-8H2
InChIKeyGZAIELLMKGLOJA-UHFFFAOYSA-N
XLogP4.21
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(2-fluorophenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 2952095
5-(4-fluorophenyl)-1-(methylsulfonyl)-3-(thiophen-2-yl)-4,5-dihydro-1H-pyrazole
CID 3294033
5-Phenyl-4,5-dihydro-thieno[2,3-c]pyridin-7-ylamine
CID 18785840
6-Phenyl-6,7-dihydro-thieno[3,2-c]pyridin-4-ylamine
CID 18785938
4-[4-(Trifluoromethyl)phenyl]-6,7-dihydrothieno[3,2-c]pyridine
CID 2739385
(4-Fluorophenyl)(thien-2-yl)methylamine
CID 4962648
2-(3-Fluorophenyl)-1-(thiophen-2-yl)ethan-1-amine--hydrogen chloride (1/1)
CID 3062014
2-Thenylamine, alpha-(p-fluorobenzyl)-, hydrochloride
CID 3062018
N-[(5-thiophen-2-ylthiophen-2-yl)methyl]-1-[3-(trifluoromethyl)phenyl]methanimine
CID 2739999
Benzenemethanamine, N-(2-thienylmethylene)-
CID 2740077
(4-Fluorophenyl)(thiophen-2-yl)methanamine hydrochloride
CID 132327483
2,5-Bis{[(R)-(-)-1-(4-fluorophenyl)ethyl]iminomethyl}thiophene
CID 139087974

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The IUPAC name of 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole (CID 18182759) is 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole.
What is the SMILES notation for 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The canonical SMILES for 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole is Fc1ccc(C2=NC(c3cccs3)CC2)cc1.
What is the InChIKey of 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
The InChIKey is GZAIELLMKGLOJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNS/c15-11-5-3-10(4-6-11)12-7-8-13(16-12)14-2-1-9-17-14/h1-6,9,13H,7-8H2.
What are the key properties of 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole?
5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole has a molecular weight of 245.32 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-2-thiophen-2-yl-3,4-dihydro-2H-pyrrole is sourced from PubChem (CID 18182759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).