[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

C12H15F2NO3S — CID 55065124

IUPAC[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(CSC(F)F)o1)N1CCC(CO)C1
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-4-3-8(5-15)6-16/h1-2,8,12,16H,3-7H2
InChIKeyNYBGUSBKLPMZIL-UHFFFAOYSA-N
MW291.32 g/mol
LogP2.19
Rot. Bonds5

About [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone

[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (PubChem CID 55065124) has the molecular formula C12H15F2NO3S and a molecular weight of 291.32 g/mol. Its IUPAC name is [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
PubChem CID55065124
Molecular FormulaC12H15F2NO3S
Molecular Weight291.32 g/mol
Exact Mass291.07
IUPAC Name[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(CSC(F)F)o1)N1CCC(CO)C1
InChIInChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-4-3-8(5-15)6-16/h1-2,8,12,16H,3-7H2
InChIKeyNYBGUSBKLPMZIL-UHFFFAOYSA-N
XLogP2.19
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.32
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(difluoromethylsulfanylmethyl)furan-2-yl]-(4-hydroxypiperidin-1-yl)methanone
CID 43417503
[3-(hydroxymethyl)pyrrolidin-1-yl]-[5-(pyrazol-1-ylmethyl)furan-2-yl]methanone
CID 62372378
[3-(bromomethyl)pyrrolidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 80667487
(3-aminopyrrolidin-1-yl)-(5-ethylfuran-2-yl)methanone
CID 79094746
[5-(difluoromethylsulfanylmethyl)furan-2-yl]methanol
CID 43753545
[(3R)-3-aminopiperidin-1-yl]-(5-ethylfuran-2-yl)methanone
CID 102978338
1-[5-(methylsulfanylmethyl)furan-2-carbonyl]piperidine-3-carboxylic acid
CID 43355781
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N-methylfuran-2-sulfonamide
CID 112531799
(5-ethylfuran-2-yl)-[3-[(propan-2-ylamino)methyl]piperidin-1-yl]methanone
CID 79095324
5-[3-(hydroxymethyl)piperidine-1-carbonyl]-N,N-dimethylfuran-2-sulfonamide
CID 43430815
5-(difluoromethylsulfanylmethyl)-N-methoxyfuran-2-carboxamide
CID 60735591
(5-bromofuran-2-yl)-[3-(fluoromethyl)piperidin-1-yl]methanone
CID 163346718

Frequently Asked Questions

What is the IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The IUPAC name of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone (CID 55065124) is [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The canonical SMILES for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is O=C(c1ccc(CSC(F)F)o1)N1CCC(CO)C1.
What is the InChIKey of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
The InChIKey is NYBGUSBKLPMZIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2NO3S/c13-12(14)19-7-9-1-2-10(18-9)11(17)15-4-3-8(5-15)6-16/h1-2,8,12,16H,3-7H2.
What are the key properties of [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone?
[5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone has a molecular weight of 291.32 g/mol, XLogP of 2.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(difluoromethylsulfanylmethyl)furan-2-yl]-[3-(hydroxymethyl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 55065124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).