[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone

C16H16FNO3 — CID 100719381

IUPAC[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c1-10-5-6-21-15(10)16(20)18-9-13(19)8-14(18)11-3-2-4-12(17)7-11/h2-7,13-14,19H,8-9H2,1H3/t13-,14+/m0/s1
InChIKeyFQJNEFHHWKAPGW-UONOGXRCSA-N
MW289.31 g/mol
LogP2.68
Rot. Bonds2

About [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone

[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone (PubChem CID 100719381) has the molecular formula C16H16FNO3 and a molecular weight of 289.31 g/mol. Its IUPAC name is [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone.

Molecular Properties

Compound Name[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
PubChem CID100719381
Molecular FormulaC16H16FNO3
Molecular Weight289.31 g/mol
Exact Mass289.11
IUPAC Name[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
SMILESCc1ccoc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1
InChIInChI=1S/C16H16FNO3/c1-10-5-6-21-15(10)16(20)18-9-13(19)8-14(18)11-3-2-4-12(17)7-11/h2-7,13-14,19H,8-9H2,1H3/t13-,14+/m0/s1
InChIKeyFQJNEFHHWKAPGW-UONOGXRCSA-N
XLogP2.68
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.31
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2R,4S)-4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 129481486
[4-hydroxy-2-(3-methoxyphenyl)pyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone
CID 128965922
[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-[5-(hydroxymethyl)-3-methylfuran-2-yl]methanone
CID 129484960
[2-(3-fluorophenyl)piperazin-1-yl]-(3-methylfuran-2-yl)methanone
CID 120736698
(1,3-dimethylpyrrol-2-yl)-[2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990038
4-[2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-5-methylfuran-2-carbonitrile
CID 128964177
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methyl-1H-pyrrol-3-yl)methanone
CID 129481566
(2,6-dimethylpyrimidin-4-yl)-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 100719228
[(2S,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(1,3,5-trimethylpyrazol-4-yl)methanone
CID 129482041
6-[(2S,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methylpyridine-3-carbonitrile
CID 129481779
[(2R,4R)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-propyl-1,3-oxazol-4-yl)methanone
CID 129481755
(2S)-4-hydroxy-1-(3-methylfuran-2-carbonyl)pyrrolidine-2-carboxylic acid
CID 61151938

Frequently Asked Questions

What is the IUPAC name of [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The IUPAC name of [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone (CID 100719381) is [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone.
What is the SMILES notation for [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The canonical SMILES for [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone is Cc1ccoc1C(=O)N1C[C@@H](O)C[C@@H]1c1cccc(F)c1.
What is the InChIKey of [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
The InChIKey is FQJNEFHHWKAPGW-UONOGXRCSA-N. The full InChI is InChI=1S/C16H16FNO3/c1-10-5-6-21-15(10)16(20)18-9-13(19)8-14(18)11-3-2-4-12(17)7-11/h2-7,13-14,19H,8-9H2,1H3/t13-,14+/m0/s1.
What are the key properties of [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone?
[(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone has a molecular weight of 289.31 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4S)-2-(3-fluorophenyl)-4-hydroxypyrrolidin-1-yl]-(3-methylfuran-2-yl)methanone is sourced from PubChem (CID 100719381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).