1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one

C10H8F4N2O — CID 132568856

IUPAC1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one
SMILESO=C(C(F)C(F)(F)F)N1CCc2cccnc21
InChIInChI=1S/C10H8F4N2O/c11-7(10(12,13)14)9(17)16-5-3-6-2-1-4-15-8(6)16/h1-2,4,7H,3,5H2
InChIKeyGWAFUVSHPCVELF-UHFFFAOYSA-N
MW248.18 g/mol
LogP1.87
Rot. Bonds1

About 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one

1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one (PubChem CID 132568856) has the molecular formula C10H8F4N2O and a molecular weight of 248.18 g/mol. Its IUPAC name is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one.

Molecular Properties

Compound Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one
PubChem CID132568856
Molecular FormulaC10H8F4N2O
Molecular Weight248.18 g/mol
Exact Mass248.06
IUPAC Name1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one
SMILESO=C(C(F)C(F)(F)F)N1CCc2cccnc21
InChIInChI=1S/C10H8F4N2O/c11-7(10(12,13)14)9(17)16-5-3-6-2-1-4-15-8(6)16/h1-2,4,7H,3,5H2
InChIKeyGWAFUVSHPCVELF-UHFFFAOYSA-N
XLogP1.87
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.18
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one with MolForge

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Related Compounds

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4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(2-pyridinyl)-
CID 486675
4-Thiazolidinone, 2-(2,6-difluorophenyl)-3-(4-methyl-2-pyridinyl)-
CID 486681
N-benzyl-2-methyl-N-(pyridin-2-yl)propanamide
CID 669246
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CID 913318

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one?
The IUPAC name of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one (CID 132568856) is 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one.
What is the SMILES notation for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one?
The canonical SMILES for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one is O=C(C(F)C(F)(F)F)N1CCc2cccnc21.
What is the InChIKey of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one?
The InChIKey is GWAFUVSHPCVELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F4N2O/c11-7(10(12,13)14)9(17)16-5-3-6-2-1-4-15-8(6)16/h1-2,4,7H,3,5H2.
What are the key properties of 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one?
1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one has a molecular weight of 248.18 g/mol, XLogP of 1.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2,3,3,3-tetrafluoropropan-1-one is sourced from PubChem (CID 132568856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).