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

C16H15F2NO3 — CID 129346048

IUPAC[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO3/c1-9-12(4-5-22-9)16(21)19-8-11(20)7-15(19)10-2-3-13(17)14(18)6-10/h2-6,11,15,20H,7-8H2,1H3/t11-,15-/m1/s1
InChIKeyJDHGEZKOHPWLTE-IAQYHMDHSA-N
MW307.30 g/mol
LogP2.81
Rot. Bonds2

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

[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (PubChem CID 129346048) has the molecular formula C16H15F2NO3 and a molecular weight of 307.30 g/mol. Its IUPAC name is [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.

Molecular Properties

Compound Name[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
PubChem CID129346048
Molecular FormulaC16H15F2NO3
Molecular Weight307.30 g/mol
Exact Mass307.10
IUPAC Name[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
SMILESCc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2NO3/c1-9-12(4-5-22-9)16(21)19-8-11(20)7-15(19)10-2-3-13(17)14(18)6-10/h2-6,11,15,20H,7-8H2,1H3/t11-,15-/m1/s1
InChIKeyJDHGEZKOHPWLTE-IAQYHMDHSA-N
XLogP2.81
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.30
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346049
[(2S,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346047
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
CID 128985677
3-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-6-methyl-1H-pyridin-2-one
CID 129351513
(2R,4R)-4-hydroxy-1-(2-methylfuran-3-carbonyl)pyrrolidine-2-carboxylic acid
CID 30055184
5-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 129352473
6-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-2-methyl-4,5-dihydropyridazin-3-one
CID 128963778
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643
1-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348408
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[6-(dimethylamino)-3-pyridinyl]methanone
CID 129346697
5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246

Frequently Asked Questions

What is the IUPAC name of [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The IUPAC name of [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone (CID 129346048) is [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone.
What is the SMILES notation for [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The canonical SMILES for [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is Cc1occc1C(=O)N1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1.
What is the InChIKey of [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
The InChIKey is JDHGEZKOHPWLTE-IAQYHMDHSA-N. The full InChI is InChI=1S/C16H15F2NO3/c1-9-12(4-5-22-9)16(21)19-8-11(20)7-15(19)10-2-3-13(17)14(18)6-10/h2-6,11,15,20H,7-8H2,1H3/t11-,15-/m1/s1.
What are the key properties of [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone?
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone has a molecular weight of 307.30 g/mol, XLogP of 2.81, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone is sourced from PubChem (CID 129346048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).