[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone

C19H16FNOS — CID 129160754

IUPAC[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCCC1
InChIInChI=1S/C19H16FNOS/c20-14-8-6-13(7-9-14)15-4-3-5-17-16(15)12-18(23-17)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2
InChIKeyBIXVWNRCYRLPNR-UHFFFAOYSA-N
MW325.41 g/mol
LogP4.94
Rot. Bonds2

About [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone

[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone (PubChem CID 129160754) has the molecular formula C19H16FNOS and a molecular weight of 325.41 g/mol. Its IUPAC name is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone
PubChem CID129160754
Molecular FormulaC19H16FNOS
Molecular Weight325.41 g/mol
Exact Mass325.09
IUPAC Name[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCCC1
InChIInChI=1S/C19H16FNOS/c20-14-8-6-13(7-9-14)15-4-3-5-17-16(15)12-18(23-17)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2
InChIKeyBIXVWNRCYRLPNR-UHFFFAOYSA-N
XLogP4.94
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone?
The IUPAC name of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone (CID 129160754) is [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone.
What is the SMILES notation for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone?
The canonical SMILES for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone is O=C(c1cc2c(-c3ccc(F)cc3)cccc2s1)N1CCCC1.
What is the InChIKey of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone?
The InChIKey is BIXVWNRCYRLPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FNOS/c20-14-8-6-13(7-9-14)15-4-3-5-17-16(15)12-18(23-17)19(22)21-10-1-2-11-21/h3-9,12H,1-2,10-11H2.
What are the key properties of [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone?
[4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone has a molecular weight of 325.41 g/mol, XLogP of 4.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-fluorophenyl)-1-benzothiophen-2-yl]-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 129160754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).