1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

C16H16FNOS — CID 20895671

IUPAC1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H16FNOS/c17-13-5-1-4-12(10-13)15-7-2-8-18(15)16(19)11-14-6-3-9-20-14/h1,3-6,9-10,15H,2,7-8,11H2
InChIKeyPEGPMWRNECFULF-UHFFFAOYSA-N
MW289.38 g/mol
LogP3.79
Rot. Bonds3

About 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone

1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (PubChem CID 20895671) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.

Molecular Properties

Compound Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
PubChem CID20895671
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone
SMILESO=C(Cc1cccs1)N1CCCC1c1cccc(F)c1
InChIInChI=1S/C16H16FNOS/c17-13-5-1-4-12(10-13)15-7-2-8-18(15)16(19)11-14-6-3-9-20-14/h1,3-6,9-10,15H,2,7-8,11H2
InChIKeyPEGPMWRNECFULF-UHFFFAOYSA-N
XLogP3.79
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

N-[2-(4-fluorophenyl)ethyl]-2-(thiophen-2-yl)acetamide
CID 808451
(4-phenyl-3,6-dihydro-2H-pyridin-1-yl)-thiophen-2-ylmethanone
CID 2567966
N-(4-phenylbutan-2-yl)-2-(thiophen-2-yl)acetamide
CID 2914787
N-[(2-fluorophenyl)methyl]-2-thiophen-3-ylacetamide
CID 8013080
N-ethyl-3-(4-methylphenyl)-N-(thiophen-2-ylmethyl)propanamide
CID 67512015
N-methyl-1-(4-methylphenyl)-N-(thiophen-2-ylmethyl)cyclopropane-1-carboxamide
CID 71449606
Thiophene-2-carboxamide, N-benzyl-N-tert-butyl-
CID 574008
N-benzyl-N-(propan-2-yl)thiophene-2-carboxamide
CID 668925
N-(1,1-dioxo-3-thiolanyl)-N-(thiophen-2-ylmethyl)benzamide
CID 664074
N-(2-fluorobenzyl)-2-(2-thienyl)acetamide
CID 1246492
(4-Fluoro-1-benzothiophen-2-yl)(1-pyrrolidinyl)methanone
CID 1477947
N-(1-benzylpiperidin-4-yl)-2-(thiophen-2-yl)acetamide
CID 2712605

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The IUPAC name of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone (CID 20895671) is 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone.
What is the SMILES notation for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The canonical SMILES for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is O=C(Cc1cccs1)N1CCCC1c1cccc(F)c1.
What is the InChIKey of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
The InChIKey is PEGPMWRNECFULF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c17-13-5-1-4-12(10-13)15-7-2-8-18(15)16(19)11-14-6-3-9-20-14/h1,3-6,9-10,15H,2,7-8,11H2.
What are the key properties of 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone?
1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone has a molecular weight of 289.38 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-fluorophenyl)pyrrolidin-1-yl]-2-thiophen-2-ylethanone is sourced from PubChem (CID 20895671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).