1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone

C17H18FNOS — CID 77094517

IUPAC1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCCC2c2ccc(F)cc2)cs1
InChIInChI=1S/C17H18FNOS/c1-12(20)17-9-13(11-21-17)10-19-8-2-3-16(19)14-4-6-15(18)7-5-14/h4-7,9,11,16H,2-3,8,10H2,1H3
InChIKeyLFIKQTOVLHCJHF-UHFFFAOYSA-N
MW303.40 g/mol
LogP4.43
Rot. Bonds4

About 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone

1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone (PubChem CID 77094517) has the molecular formula C17H18FNOS and a molecular weight of 303.40 g/mol. Its IUPAC name is 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
PubChem CID77094517
Molecular FormulaC17H18FNOS
Molecular Weight303.40 g/mol
Exact Mass303.11
IUPAC Name1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone
SMILESCC(=O)c1cc(CN2CCCC2c2ccc(F)cc2)cs1
InChIInChI=1S/C17H18FNOS/c1-12(20)17-9-13(11-21-17)10-19-8-2-3-16(19)14-4-6-15(18)7-5-14/h4-7,9,11,16H,2-3,8,10H2,1H3
InChIKeyLFIKQTOVLHCJHF-UHFFFAOYSA-N
XLogP4.43
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.40
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-[[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 95724830
5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-2-methoxybenzoic acid
CID 77079933
1-[4-[[(3R)-3-[4-(4-fluorophenyl)piperazin-1-yl]piperidin-1-yl]methyl]thiophen-2-yl]ethanone
CID 92659526
2-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3-thiazole
CID 99947605
2-[2-(4-fluorophenyl)pyrrolidin-1-yl]-N-methylacetamide
CID 47019472
2-(4-fluorophenyl)-1-[(4-propoxyphenyl)methyl]pyrrolidine
CID 20895915
4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-N-methylbenzenesulfonamide
CID 56890613
2-(4-fluorophenyl)-1-propylpyrrolidine
CID 102544448
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397
5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]-N,N-dimethylfuran-2-carboxamide
CID 56899649
N-[(4-fluorophenyl)methyl]-5-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-1,3,4-thiadiazole-2-carboxamide
CID 55591818
methyl 5-[[2-(4-fluorophenyl)piperidin-1-yl]methyl]furan-2-carboxylate
CID 56884158

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone (CID 77094517) is 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone is CC(=O)c1cc(CN2CCCC2c2ccc(F)cc2)cs1.
What is the InChIKey of 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone?
The InChIKey is LFIKQTOVLHCJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNOS/c1-12(20)17-9-13(11-21-17)10-19-8-2-3-16(19)14-4-6-15(18)7-5-14/h4-7,9,11,16H,2-3,8,10H2,1H3.
What are the key properties of 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone?
1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone has a molecular weight of 303.40 g/mol, XLogP of 4.43, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]thiophen-2-yl]ethanone is sourced from PubChem (CID 77094517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).