[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone

C19H16FNO2S — CID 90995967

IUPAC[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone
SMILESCC(F)Oc1ccc(C(=O)n2ccc(C=Cc3cccs3)c2)cc1
InChIInChI=1S/C19H16FNO2S/c1-14(20)23-17-7-5-16(6-8-17)19(22)21-11-10-15(13-21)4-9-18-3-2-12-24-18/h2-14H,1H3
InChIKeyHOVKGIAPRXFJFK-UHFFFAOYSA-N
MW341.41 g/mol
LogP5.10
Rot. Bonds5

About [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone

[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone (PubChem CID 90995967) has the molecular formula C19H16FNO2S and a molecular weight of 341.41 g/mol. Its IUPAC name is [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone.

Molecular Properties

Compound Name[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone
PubChem CID90995967
Molecular FormulaC19H16FNO2S
Molecular Weight341.41 g/mol
Exact Mass341.09
IUPAC Name[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone
SMILESCC(F)Oc1ccc(C(=O)n2ccc(C=Cc3cccs3)c2)cc1
InChIInChI=1S/C19H16FNO2S/c1-14(20)23-17-7-5-16(6-8-17)19(22)21-11-10-15(13-21)4-9-18-3-2-12-24-18/h2-14H,1H3
InChIKeyHOVKGIAPRXFJFK-UHFFFAOYSA-N
XLogP5.10
TPSA31.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500341.41
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
6-[4-[(2-Thiophen-2-ylethylamino)methyl]phenoxy]pyridine-3-carboxamide
CID 68746483
(4E)-5-(4-ethoxyphenyl)-4-[hydroxy(thiophen-2-yl)methylidene]-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
CID 2917799
5-(4-Methoxyphenyl)-1-methyl-6-pyridin-4-yl-3-thiophen-3-ylpyridin-2-one
CID 10571452
Thieno(3,2-c)pyridinium, 5-(p-methoxyphenacyl)-, bromide
CID 3041321
N-[(4-Ethoxyphenyl)methyl]-1-[3-(1H-pyrrol-1-YL)thiophene-2-carbonyl]piperidine-4-carboxamide
CID 16011396
1-(4-((4-(2,5-dimethyl-1-(thiophen-2-ylmethyl)-1H-pyrrole-3-carbonyl)morpholin-2-yl)methoxy)-2-fluorophenyl)ethanone
CID 3854471
4-ethoxy-N-(2-(2-(pyridin-3-yl)thiazol-4-yl)ethyl)benzamide
CID 7119156
N-methyl-N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-4-[1-(pyridin-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24790488
N-(pyridin-2-ylmethyl)-4-[1-(thiophen-2-ylmethyl)piperidin-4-yl]oxybenzamide
CID 24792148
N-methyl-4-{[1-(2-pyridinylmethyl)-4-piperidinyl]oxy}-N-(1,3-thiazol-2-ylmethyl)benzamide
CID 24817790

Frequently Asked Questions

What is the IUPAC name of [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone?
The IUPAC name of [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone (CID 90995967) is [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone.
What is the SMILES notation for [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone?
The canonical SMILES for [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone is CC(F)Oc1ccc(C(=O)n2ccc(C=Cc3cccs3)c2)cc1.
What is the InChIKey of [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone?
The InChIKey is HOVKGIAPRXFJFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNO2S/c1-14(20)23-17-7-5-16(6-8-17)19(22)21-11-10-15(13-21)4-9-18-3-2-12-24-18/h2-14H,1H3.
What are the key properties of [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone?
[4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone has a molecular weight of 341.41 g/mol, XLogP of 5.10, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(1-fluoroethoxy)phenyl]-[3-(2-thiophen-2-ylethenyl)pyrrol-1-yl]methanone is sourced from PubChem (CID 90995967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).