2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide

C12H6F11N2O4- — CID 163160634

IUPAC2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide
SMILESO=C(Nc1cccc(N([O-])O)c1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F11N2O4/c13-8(10(16,17)18,29-12(22,23)9(14,15)11(19,20)21)7(26)24-5-2-1-3-6(4-5)25(27)28/h1-4,27H,(H,24,26)/q-1
InChIKeyHJMLNLVGNGCVCE-UHFFFAOYSA-N
MW451.17 g/mol
LogP4.35
Rot. Bonds6

About 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide

2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide (PubChem CID 163160634) has the molecular formula C12H6F11N2O4- and a molecular weight of 451.17 g/mol. Its IUPAC name is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide.

Molecular Properties

Compound Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide
PubChem CID163160634
Molecular FormulaC12H6F11N2O4-
Molecular Weight451.17 g/mol
Exact Mass451.02
IUPAC Name2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide
SMILESO=C(Nc1cccc(N([O-])O)c1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F
InChIInChI=1S/C12H6F11N2O4/c13-8(10(16,17)18,29-12(22,23)9(14,15)11(19,20)21)7(26)24-5-2-1-3-6(4-5)25(27)28/h1-4,27H,(H,24,26)/q-1
InChIKeyHJMLNLVGNGCVCE-UHFFFAOYSA-N
XLogP4.35
TPSA84.86 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.17
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-(3-methylphenyl)propanamide
CID 163155322
(2S)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-nitrophenyl)propanamide
CID 95240724
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-(3-nitrophenyl)propanamide
CID 95240722
(2S)-2,3,3,3-tetrafluoro-N-(3-fluorophenyl)-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]propanamide
CID 98120766
(2R)-2,3,3,3-tetrafluoro-2-[(2R)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-methylphenyl)propanamide
CID 95239983
(2R)-N-(3,4-dimethylphenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 163178934
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
CID 4585146
(2R)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-quinolin-6-ylpropanamide
CID 92904974
(2R)-2,3,3,3-tetrafluoro-2-[(2S)-1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-nitrophenyl)propanamide
CID 97182364
(2R)-N-(2,6-dichlorophenyl)-2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propanamide
CID 163179327
2,3,3,3-tetrafluoro-2-[1,1,2,3,3,3-hexafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)propoxy]-N-(3-methylsulfanylphenyl)propanamide
CID 3119877
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-pyridin-3-ylpropanamide
CID 2780518

Frequently Asked Questions

What is the IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide?
The IUPAC name of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide (CID 163160634) is 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide.
What is the SMILES notation for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide?
The canonical SMILES for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide is O=C(Nc1cccc(N([O-])O)c1)C(F)(OC(F)(F)C(F)(F)C(F)(F)F)C(F)(F)F.
What is the InChIKey of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide?
The InChIKey is HJMLNLVGNGCVCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6F11N2O4/c13-8(10(16,17)18,29-12(22,23)9(14,15)11(19,20)21)7(26)24-5-2-1-3-6(4-5)25(27)28/h1-4,27H,(H,24,26)/q-1.
What are the key properties of 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide?
2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide has a molecular weight of 451.17 g/mol, XLogP of 4.35, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,3,3-tetrafluoro-2-(1,1,2,2,3,3,3-heptafluoropropoxy)-N-[3-[hydroxy(oxido)amino]phenyl]propanamide is sourced from PubChem (CID 163160634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).