2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid

C11H8F5NO2 — CID 62697316

IUPAC2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
SMILESO=C(O)C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C11H8F5NO2/c12-4-5(13)7(15)10(8(16)6(4)14)17-9(11(18)19)3-1-2-3/h3,9,17H,1-2H2,(H,18,19)
InChIKeyFZLYXWFHBONMCJ-UHFFFAOYSA-N
MW281.18 g/mol
LogP2.66
Rot. Bonds4

About 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid

2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid (PubChem CID 62697316) has the molecular formula C11H8F5NO2 and a molecular weight of 281.18 g/mol. Its IUPAC name is 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid.

Molecular Properties

Compound Name2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
PubChem CID62697316
Molecular FormulaC11H8F5NO2
Molecular Weight281.18 g/mol
Exact Mass281.05
IUPAC Name2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid
SMILESO=C(O)C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1
InChIInChI=1S/C11H8F5NO2/c12-4-5(13)7(15)10(8(16)6(4)14)17-9(11(18)19)3-1-2-3/h3,9,17H,1-2H2,(H,18,19)
InChIKeyFZLYXWFHBONMCJ-UHFFFAOYSA-N
XLogP2.66
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.18
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid?
The IUPAC name of 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid (CID 62697316) is 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid.
What is the SMILES notation for 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid?
The canonical SMILES for 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid is O=C(O)C(Nc1c(F)c(F)c(F)c(F)c1F)C1CC1.
What is the InChIKey of 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid?
The InChIKey is FZLYXWFHBONMCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8F5NO2/c12-4-5(13)7(15)10(8(16)6(4)14)17-9(11(18)19)3-1-2-3/h3,9,17H,1-2H2,(H,18,19).
What are the key properties of 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid?
2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid has a molecular weight of 281.18 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-2-(2,3,4,5,6-pentafluoroanilino)acetic acid is sourced from PubChem (CID 62697316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).