[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C15H14FNOS — CID 94617936

IUPAC[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-13-5-3-11(4-6-13)14-2-1-8-17(14)15(18)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2/t14-/m1/s1
InChIKeyQMPDIVVKCOZUGY-CQSZACIVSA-N
MW275.35 g/mol
LogP3.86
Rot. Bonds2

About [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 94617936) has the molecular formula C15H14FNOS and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID94617936
Molecular FormulaC15H14FNOS
Molecular Weight275.35 g/mol
Exact Mass275.08
IUPAC Name[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCC[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C15H14FNOS/c16-13-5-3-11(4-6-13)14-2-1-8-17(14)15(18)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2/t14-/m1/s1
InChIKeyQMPDIVVKCOZUGY-CQSZACIVSA-N
XLogP3.86
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-fluorophenyl)-[2-(4-fluorophenyl)pyrrolidin-1-yl]methanone
CID 50747006
[2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-thiophen-3-ylmethanone
CID 70709336
phenyl-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 60770024
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 32840665
[2-(4-fluorophenyl)pyrrolidin-1-yl]-(4-nitrophenyl)methanone
CID 47019414
(4-bromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 42961741
[(2S)-2-(5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
CID 124949823
(3,5-dibromophenyl)-(2-thiophen-3-ylpyrrolidin-1-yl)methanone
CID 107980311
4-phenyl-5-(thiophene-3-carbonyl)-1,5-diazecan-2-one
CID 110200133
1-[4-[2-(4-fluorophenyl)pyrrolidine-1-carbonyl]phenyl]pyrrolidin-2-one
CID 51338954
(4-fluorophenyl)-[4-(thiophene-3-carbonyl)piperazin-1-yl]methanone
CID 36507181
5-[2-(4-fluorophenyl)piperidine-1-carbonyl]-1-methylpyridin-2-one
CID 70770514

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 94617936) is [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCC[C@@H]1c1ccc(F)cc1.
What is the InChIKey of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is QMPDIVVKCOZUGY-CQSZACIVSA-N. The full InChI is InChI=1S/C15H14FNOS/c16-13-5-3-11(4-6-13)14-2-1-8-17(14)15(18)12-7-9-19-10-12/h3-7,9-10,14H,1-2,8H2/t14-/m1/s1.
What are the key properties of [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 275.35 g/mol, XLogP of 3.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-(4-fluorophenyl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 94617936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).