N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide

C13H7F11N2O3 — CID 569628

IUPACN'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide
SMILESO=C(NNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H7F11N2O3/c14-9(11(17,18)19,29-13(23,24)10(15,16)12(20,21)22)8(28)26-25-7(27)6-4-2-1-3-5-6/h1-5H,(H,25,27)(H,26,28)
InChIKeyDWOQBPKUOUUUDC-UHFFFAOYSA-N
MW448.19 g/mol
LogP3.48
Rot. Bonds5

About N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide

N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide (PubChem CID 569628) has the molecular formula C13H7F11N2O3 and a molecular weight of 448.19 g/mol. Its IUPAC name is N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide.

Molecular Properties

Compound NameN'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide
PubChem CID569628
Molecular FormulaC13H7F11N2O3
Molecular Weight448.19 g/mol
Exact Mass448.03
IUPAC NameN'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide
SMILESO=C(NNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1
InChIInChI=1S/C13H7F11N2O3/c14-9(11(17,18)19,29-13(23,24)10(15,16)12(20,21)22)8(28)26-25-7(27)6-4-2-1-3-5-6/h1-5H,(H,25,27)(H,26,28)
InChIKeyDWOQBPKUOUUUDC-UHFFFAOYSA-N
XLogP3.48
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.19
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[(1S)-1-phenylethyl]propanamide
CID 162812285
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(2-phenylphenyl)propanamide
CID 92904968
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-1-(4-phenylphenyl)propan-1-one
CID 151245335
(2R)-N-benzyl-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 163133439
benzyl (2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoate
CID 162994134
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-methylpropanamide
CID 162854102
4,5,5,5-tetrafluoro-4-[1,1,2,2,3,3-hexafluoro-3-(trifluoromethoxy)propoxy]-1-phenylpentane-1,3-dione
CID 102084358
(2S)-2,3,3,3-tetrafluoro-N-(2-fluorophenyl)-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 163045888
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
CID 2780518
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-methylphenyl)propanamide
CID 163155322
N'-(2-amino-2-methylpropanoyl)benzohydrazide
CID 67519847
phenyl (2S)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanoate
CID 95240524

Frequently Asked Questions

What is the IUPAC name of N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide?
The IUPAC name of N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide (CID 569628) is N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide.
What is the SMILES notation for N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide?
The canonical SMILES for N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide is O=C(NNC(=O)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F)c1ccccc1.
What is the InChIKey of N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide?
The InChIKey is DWOQBPKUOUUUDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F11N2O3/c14-9(11(17,18)19,29-13(23,24)10(15,16)12(20,21)22)8(28)26-25-7(27)6-4-2-1-3-5-6/h1-5H,(H,25,27)(H,26,28).
What are the key properties of N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide?
N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide has a molecular weight of 448.19 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanoyl]benzohydrazide is sourced from PubChem (CID 569628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).