[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone

C16H16FNOS — CID 46082896

IUPAC[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H16FNOS/c1-11-3-2-10-18(11)16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3
InChIKeyOOGDOVCJMPDXNI-UHFFFAOYSA-N
MW289.38 g/mol
LogP4.18
Rot. Bonds2

About [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone

[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone (PubChem CID 46082896) has the molecular formula C16H16FNOS and a molecular weight of 289.38 g/mol. Its IUPAC name is [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone
PubChem CID46082896
Molecular FormulaC16H16FNOS
Molecular Weight289.38 g/mol
Exact Mass289.09
IUPAC Name[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone
SMILESCC1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1
InChIInChI=1S/C16H16FNOS/c1-11-3-2-10-18(11)16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3
InChIKeyOOGDOVCJMPDXNI-UHFFFAOYSA-N
XLogP4.18
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.38
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The IUPAC name of [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone (CID 46082896) is [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone.
What is the SMILES notation for [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The canonical SMILES for [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone is CC1CCCN1C(=O)c1ccc(-c2ccc(F)cc2)s1.
What is the InChIKey of [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
The InChIKey is OOGDOVCJMPDXNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FNOS/c1-11-3-2-10-18(11)16(19)15-9-8-14(20-15)12-4-6-13(17)7-5-12/h4-9,11H,2-3,10H2,1H3.
What are the key properties of [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone?
[5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone has a molecular weight of 289.38 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-fluorophenyl)thiophen-2-yl]-(2-methylpyrrolidin-1-yl)methanone is sourced from PubChem (CID 46082896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).