2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide

C18H10F10N2O2 — CID 91743756

IUPAC2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H10F10N2O2/c19-15(20,17(23,24)25)13(31)29-11-8-4-5-9-12(11)30(10-6-2-1-3-7-10)14(32)16(21,22)18(26,27)28/h1-9H,(H,29,31)
InChIKeySRJHWVFJSUCYOF-UHFFFAOYSA-N
MW476.27 g/mol
LogP5.68
Rot. Bonds5

About 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide

2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide (PubChem CID 91743756) has the molecular formula C18H10F10N2O2 and a molecular weight of 476.27 g/mol. Its IUPAC name is 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide.

Molecular Properties

Compound Name2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide
PubChem CID91743756
Molecular FormulaC18H10F10N2O2
Molecular Weight476.27 g/mol
Exact Mass476.06
IUPAC Name2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide
SMILESO=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)F
InChIInChI=1S/C18H10F10N2O2/c19-15(20,17(23,24)25)13(31)29-11-8-4-5-9-12(11)30(10-6-2-1-3-7-10)14(32)16(21,22)18(26,27)28/h1-9H,(H,29,31)
InChIKeySRJHWVFJSUCYOF-UHFFFAOYSA-N
XLogP5.68
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.27
LogP ≤ 55.68
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 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide?
The IUPAC name of 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide (CID 91743756) is 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide.
What is the SMILES notation for 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide?
The canonical SMILES for 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide is O=C(Nc1ccccc1N(C(=O)C(F)(F)C(F)(F)F)c1ccccc1)C(F)(F)C(F)(F)F.
What is the InChIKey of 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide?
The InChIKey is SRJHWVFJSUCYOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10F10N2O2/c19-15(20,17(23,24)25)13(31)29-11-8-4-5-9-12(11)30(10-6-2-1-3-7-10)14(32)16(21,22)18(26,27)28/h1-9H,(H,29,31).
What are the key properties of 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide?
2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide has a molecular weight of 476.27 g/mol, XLogP of 5.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3,3,3-pentafluoro-N-[2-[N-(2,2,3,3,3-pentafluoropropanoyl)anilino]phenyl]propanamide is sourced from PubChem (CID 91743756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).