2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

C12H4F11NO2 — CID 91715742

IUPAC2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
SMILESO=C(N(C(=O)C(F)(F)C(F)(F)F)c1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F11NO2/c13-5-1-3-6(4-2-5)24(7(25)9(14,15)11(18,19)20)8(26)10(16,17)12(21,22)23/h1-4H
InChIKeyBBKRONNCKNFRGG-UHFFFAOYSA-N
MW403.15 g/mol
LogP4.08
Rot. Bonds3

About 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide

2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide (PubChem CID 91715742) has the molecular formula C12H4F11NO2 and a molecular weight of 403.15 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
PubChem CID91715742
Molecular FormulaC12H4F11NO2
Molecular Weight403.15 g/mol
Exact Mass403.01
IUPAC Name2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide
SMILESO=C(N(C(=O)C(F)(F)C(F)(F)F)c1ccc(F)cc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C12H4F11NO2/c13-5-1-3-6(4-2-5)24(7(25)9(14,15)11(18,19)20)8(26)10(16,17)12(21,22)23/h1-4H
InChIKeyBBKRONNCKNFRGG-UHFFFAOYSA-N
XLogP4.08
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.15
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-carbonofluoridoyl-N-(4-fluorophenyl)carbamoyl fluoride
CID 23233797
1-(4-fluorophenyl)ethenylsilane
CID 175020263
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)propanamide
CID 532140
[5-[bis(2,2,3,3,3-pentafluoropropanoyl)amino]-2-methoxyphenyl] 2,2,3,3,3-pentafluoropropanoate
CID 91710808
2-fluoro-2,2-bis(4-fluorophenyl)acetate
CID 20636369
N-ethyl-N-(4-fluorophenyl)-2-hydroxy-2-methylpropanamide
CID 103429881
N-ethyl-2,2,3,3,3-pentafluoro-N-phenylpropanamide
CID 91710847
2,4,4,4-tetrafluoro-1-(4-fluorophenyl)-3,3-dihydroxybutan-1-one
CID 102198852
1-(4-fluorophenyl)-2-[methyl(2,2,2-trifluoroethyl)amino]ethanone
CID 60891207
N-[[(1S,2R,6R,7S,8S,10R)-3,5-dioxo-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-4-yl]methyl]-2,2,2-trifluoro-N-(4-fluorophenyl)acetamide
CID 124720366
1-[4-[1,1,1,3,3,3-hexafluoro-2-(4-fluorophenyl)propan-2-yl]phenyl]ethanone
CID 21200809
4-(dimethylamino)-N'-(4-fluorobenzoyl)benzohydrazide
CID 3914670

Frequently Asked Questions

What is the IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide (CID 91715742) is 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide is O=C(N(C(=O)C(F)(F)C(F)(F)F)c1ccc(F)cc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
The InChIKey is BBKRONNCKNFRGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H4F11NO2/c13-5-1-3-6(4-2-5)24(7(25)9(14,15)11(18,19)20)8(26)10(16,17)12(21,22)23/h1-4H.
What are the key properties of 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide?
2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide has a molecular weight of 403.15 g/mol, XLogP of 4.08, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-(4-fluorophenyl)-N-(2,2,3,3,3-pentafluoropropanoyl)propanamide is sourced from PubChem (CID 91715742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).