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

C15H13F2NO3 — CID 128985677

IUPAC[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC(O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3/c16-11-4-3-9(6-12(11)17)13-7-10(19)8-18(13)15(20)14-2-1-5-21-14/h1-6,10,13,19H,7-8H2
InChIKeyZJOJMYUNOYLJTO-UHFFFAOYSA-N
MW293.27 g/mol
LogP2.51
Rot. Bonds2

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

[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone (PubChem CID 128985677) has the molecular formula C15H13F2NO3 and a molecular weight of 293.27 g/mol. Its IUPAC name is [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone.

Molecular Properties

Compound Name[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
PubChem CID128985677
Molecular FormulaC15H13F2NO3
Molecular Weight293.27 g/mol
Exact Mass293.09
IUPAC Name[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone
SMILESO=C(c1ccco1)N1CC(O)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C15H13F2NO3/c16-11-4-3-9(6-12(11)17)13-7-10(19)8-18(13)15(20)14-2-1-5-21-14/h1-6,10,13,19H,7-8H2
InChIKeyZJOJMYUNOYLJTO-UHFFFAOYSA-N
XLogP2.51
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.27
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]furan-2-carboxamide
CID 129352473
[(2R,4R)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(2-methylfuran-3-yl)methanone
CID 129346048
[(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
(3-cyclopropyl-1,2-oxazol-5-yl)-[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]methanone
CID 128990135
1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 2765111
5-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]-1H-pyridin-2-one
CID 129352246
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(5-phenylmethoxypyrazin-2-yl)methanone
CID 146087168
[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-[4-(dimethylamino)-2-pyridinyl]methanone
CID 129346643
2-[(2R,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidine-1-carbonyl]pyridine-4-carbonitrile
CID 129352349
methyl (2S,4S)-1-(furan-2-carbonyl)-4-hydroxypyrrolidine-2-carboxylate
CID 1480349
1-[(2S,4S)-2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-3-hydroxy-3-methylbutan-1-one
CID 129348407

Frequently Asked Questions

What is the IUPAC name of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The IUPAC name of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone (CID 128985677) is [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone.
What is the SMILES notation for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The canonical SMILES for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone is O=C(c1ccco1)N1CC(O)CC1c1ccc(F)c(F)c1.
What is the InChIKey of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
The InChIKey is ZJOJMYUNOYLJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2NO3/c16-11-4-3-9(6-12(11)17)13-7-10(19)8-18(13)15(20)14-2-1-5-21-14/h1-6,10,13,19H,7-8H2.
What are the key properties of [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone?
[2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone has a molecular weight of 293.27 g/mol, XLogP of 2.51, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3,4-difluorophenyl)-4-hydroxypyrrolidin-1-yl]-(furan-2-yl)methanone is sourced from PubChem (CID 128985677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).