N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide

C11H6F4N2O2 — CID 2115504

IUPACN'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccco1
InChIInChI=1S/C11H6F4N2O2/c12-5-4-6(13)9(15)10(8(5)14)16-17-11(18)7-2-1-3-19-7/h1-4,16H,(H,17,18)
InChIKeyVUWRZWWHYRYMHG-UHFFFAOYSA-N
MW274.17 g/mol
LogP2.59
Rot. Bonds3

About N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide

N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide (PubChem CID 2115504) has the molecular formula C11H6F4N2O2 and a molecular weight of 274.17 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide
PubChem CID2115504
Molecular FormulaC11H6F4N2O2
Molecular Weight274.17 g/mol
Exact Mass274.04
IUPAC NameN'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide
SMILESO=C(NNc1c(F)c(F)cc(F)c1F)c1ccco1
InChIInChI=1S/C11H6F4N2O2/c12-5-4-6(13)9(15)10(8(5)14)16-17-11(18)7-2-1-3-19-7/h1-4,16H,(H,17,18)
InChIKeyVUWRZWWHYRYMHG-UHFFFAOYSA-N
XLogP2.59
TPSA54.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.17
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide?
The IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide (CID 2115504) is N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide?
The canonical SMILES for N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide is O=C(NNc1c(F)c(F)cc(F)c1F)c1ccco1.
What is the InChIKey of N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide?
The InChIKey is VUWRZWWHYRYMHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6F4N2O2/c12-5-4-6(13)9(15)10(8(5)14)16-17-11(18)7-2-1-3-19-7/h1-4,16H,(H,17,18).
What are the key properties of N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide?
N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide has a molecular weight of 274.17 g/mol, XLogP of 2.59, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluorophenyl)furan-2-carbohydrazide is sourced from PubChem (CID 2115504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).