N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

C11H4BrF9N2O2 — CID 3095776

IUPACN-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(Nc1ccc(Br)cn1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4BrF9N2O2/c12-4-1-2-5(22-3-4)23-6(24)7(13,14)10(19)8(15,16)9(17,18)11(20,21)25-10/h1-3H,(H,22,23,24)
InChIKeyUBEROCLVUFCKCL-UHFFFAOYSA-N
MW447.05 g/mol
LogP3.98
Rot. Bonds3

About N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide

N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (PubChem CID 3095776) has the molecular formula C11H4BrF9N2O2 and a molecular weight of 447.05 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
PubChem CID3095776
Molecular FormulaC11H4BrF9N2O2
Molecular Weight447.05 g/mol
Exact Mass445.93
IUPAC NameN-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide
SMILESO=C(Nc1ccc(Br)cn1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C11H4BrF9N2O2/c12-4-1-2-5(22-3-4)23-6(24)7(13,14)10(19)8(15,16)9(17,18)11(20,21)25-10/h1-3H,(H,22,23,24)
InChIKeyUBEROCLVUFCKCL-UHFFFAOYSA-N
XLogP3.98
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.05
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

N-(5-bromo-2-pyridinyl)pentanamide
CID 2292858
N-(5-bromopyridin-2-yl)propanamide
CID 774878
N-(5-bromopyridin-2-yl)pent-4-enamide
CID 2265971
N-(5-bromo-2-pyridinyl)heptanamide
CID 2225203
N-(5-bromo-2-pyridinyl)butanamide
CID 876084
6-[(5-Bromo-2-pyridinyl)amino]-6-oxohexanoic acid
CID 4167163
N-[1-[(5-bromopyridin-2-yl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]acetamide
CID 1716702
2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]-N-(4-methyl-2-pyridinyl)acetamide
CID 1730108
2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydro-2-furanyl)-N-(4-methyl-2-pyridinyl)acetamide
CID 3109805
2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]-N-(3-methyl-2-pyridinyl)acetamide
CID 92198577
2,2-Difluoro-2-(2,3,3,4,4,5,5-heptafluorotetrahydrofuran-2-yl)-N-(3-methylpyridin-2-yl)-acetamide
CID 583020
N-[1-[(5-bromo-2-pyridinyl)amino]-2,2,2-trifluoro-1-(trifluoromethyl)ethyl]propanamide
CID 1716988

Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide (CID 3095776) is N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is O=C(Nc1ccc(Br)cn1)C(F)(F)C1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
The InChIKey is UBEROCLVUFCKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4BrF9N2O2/c12-4-1-2-5(22-3-4)23-6(24)7(13,14)10(19)8(15,16)9(17,18)11(20,21)25-10/h1-3H,(H,22,23,24).
What are the key properties of N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide?
N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide has a molecular weight of 447.05 g/mol, XLogP of 3.98, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-2,2-difluoro-2-(2,3,3,4,4,5,5-heptafluorooxolan-2-yl)acetamide is sourced from PubChem (CID 3095776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).