N'-(2,3,5,6-tetrafluorophenyl)propanimidamide

C9H8F4N2 — CID 107646072

IUPACN'-(2,3,5,6-tetrafluorophenyl)propanimidamide
SMILESCC/C(N)=N\c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F4N2/c1-2-6(14)15-9-7(12)4(10)3-5(11)8(9)13/h3H,2H2,1H3,(H2,14,15)
InChIKeyAXVBFYHTLDGHJR-UHFFFAOYSA-N
MW220.17 g/mol
LogP2.64
Rot. Bonds2

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

N'-(2,3,5,6-tetrafluorophenyl)propanimidamide (PubChem CID 107646072) has the molecular formula C9H8F4N2 and a molecular weight of 220.17 g/mol. Its IUPAC name is N'-(2,3,5,6-tetrafluorophenyl)propanimidamide.

Molecular Properties

Compound NameN'-(2,3,5,6-tetrafluorophenyl)propanimidamide
PubChem CID107646072
Molecular FormulaC9H8F4N2
Molecular Weight220.17 g/mol
Exact Mass220.06
IUPAC NameN'-(2,3,5,6-tetrafluorophenyl)propanimidamide
SMILESCC/C(N)=N\c1c(F)c(F)cc(F)c1F
InChIInChI=1S/C9H8F4N2/c1-2-6(14)15-9-7(12)4(10)3-5(11)8(9)13/h3H,2H2,1H3,(H2,14,15)
InChIKeyAXVBFYHTLDGHJR-UHFFFAOYSA-N
XLogP2.64
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.17
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)propanimidamide?
The IUPAC name of N'-(2,3,5,6-tetrafluorophenyl)propanimidamide (CID 107646072) is N'-(2,3,5,6-tetrafluorophenyl)propanimidamide.
What is the SMILES notation for N'-(2,3,5,6-tetrafluorophenyl)propanimidamide?
The canonical SMILES for N'-(2,3,5,6-tetrafluorophenyl)propanimidamide is CC/C(N)=N\c1c(F)c(F)cc(F)c1F.
What is the InChIKey of N'-(2,3,5,6-tetrafluorophenyl)propanimidamide?
The InChIKey is AXVBFYHTLDGHJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F4N2/c1-2-6(14)15-9-7(12)4(10)3-5(11)8(9)13/h3H,2H2,1H3,(H2,14,15).
What are the key properties of N'-(2,3,5,6-tetrafluorophenyl)propanimidamide?
N'-(2,3,5,6-tetrafluorophenyl)propanimidamide has a molecular weight of 220.17 g/mol, XLogP of 2.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(2,3,5,6-tetrafluorophenyl)propanimidamide is sourced from PubChem (CID 107646072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).