azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid

C8H6F11NO3 — CID 175696260

IUPACazane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
SMILESC=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F.N
InChIInChI=1S/C8H3F11O3.H3N/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21;/h1H2,(H,20,21);1H3
InChIKeyUQINYSKOSIHGHD-UHFFFAOYSA-N
MW373.12 g/mol
LogP3.82
Rot. Bonds6

About azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid

azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid (PubChem CID 175696260) has the molecular formula C8H6F11NO3 and a molecular weight of 373.12 g/mol. Its IUPAC name is azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid.

Molecular Properties

Compound Nameazane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
PubChem CID175696260
Molecular FormulaC8H6F11NO3
Molecular Weight373.12 g/mol
Exact Mass373.02
IUPAC Nameazane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid
SMILESC=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F.N
InChIInChI=1S/C8H3F11O3.H3N/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21;/h1H2,(H,20,21);1H3
InChIKeyUQINYSKOSIHGHD-UHFFFAOYSA-N
XLogP3.82
TPSA81.53 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.12
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The IUPAC name of azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid (CID 175696260) is azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid.
What is the SMILES notation for azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The canonical SMILES for azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid is C=C(F)C(F)(F)C(F)(OC(F)(F)C(F)(F)C(=O)O)C(F)(F)F.N.
What is the InChIKey of azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
The InChIKey is UQINYSKOSIHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3F11O3.H3N/c1-2(9)4(10,11)6(14,7(15,16)17)22-8(18,19)5(12,13)3(20)21;/h1H2,(H,20,21);1H3.
What are the key properties of azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid?
azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid has a molecular weight of 373.12 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for azane;2,2,3,3-tetrafluoro-3-(1,1,1,2,3,3,4-heptafluoropent-4-en-2-yloxy)propanoic acid is sourced from PubChem (CID 175696260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).