N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide

C12H4Cl2F9NO2 — CID 98117456

IUPACN-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H4Cl2F9NO2/c13-4-1-2-6(5(14)3-4)24-7(25)8(15,16)11(21)9(17,18)10(19,20)12(22,23)26-11/h1-3H,(H,24,25)/t11-/m1/s1
InChIKeySQYNIERFOHZXDA-LLVKDONJSA-N
MW436.06 g/mol
LogP5.13
Rot. Bonds3

About N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide

N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide (PubChem CID 98117456) has the molecular formula C12H4Cl2F9NO2 and a molecular weight of 436.06 g/mol. Its IUPAC name is N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide
PubChem CID98117456
Molecular FormulaC12H4Cl2F9NO2
Molecular Weight436.06 g/mol
Exact Mass434.95
IUPAC NameN-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide
SMILESO=C(Nc1ccc(Cl)cc1Cl)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F
InChIInChI=1S/C12H4Cl2F9NO2/c13-4-1-2-6(5(14)3-4)24-7(25)8(15,16)11(21)9(17,18)10(19,20)12(22,23)26-11/h1-3H,(H,24,25)/t11-/m1/s1
InChIKeySQYNIERFOHZXDA-LLVKDONJSA-N
XLogP5.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.06
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide?
The IUPAC name of N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide (CID 98117456) is N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide.
What is the SMILES notation for N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide?
The canonical SMILES for N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide is O=C(Nc1ccc(Cl)cc1Cl)C(F)(F)[C@@]1(F)OC(F)(F)C(F)(F)C1(F)F.
What is the InChIKey of N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide?
The InChIKey is SQYNIERFOHZXDA-LLVKDONJSA-N. The full InChI is InChI=1S/C12H4Cl2F9NO2/c13-4-1-2-6(5(14)3-4)24-7(25)8(15,16)11(21)9(17,18)10(19,20)12(22,23)26-11/h1-3H,(H,24,25)/t11-/m1/s1.
What are the key properties of N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide?
N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide has a molecular weight of 436.06 g/mol, XLogP of 5.13, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dichlorophenyl)-2,2-difluoro-2-[(2S)-2,3,3,4,4,5,5-heptafluorooxolan-2-yl]acetamide is sourced from PubChem (CID 98117456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).