N-amino-N'-(2,3-difluorophenyl)propanimidamide

C9H11F2N3 — CID 67571427

IUPACN-amino-N'-(2,3-difluorophenyl)propanimidamide
SMILESCC/C(=N\c1cccc(F)c1F)NN
InChIInChI=1S/C9H11F2N3/c1-2-8(14-12)13-7-5-3-4-6(10)9(7)11/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeySMOITCGESYVLLY-UHFFFAOYSA-N
MW199.20 g/mol
LogP1.87
Rot. Bonds2

About N-amino-N'-(2,3-difluorophenyl)propanimidamide

N-amino-N'-(2,3-difluorophenyl)propanimidamide (PubChem CID 67571427) has the molecular formula C9H11F2N3 and a molecular weight of 199.20 g/mol. Its IUPAC name is N-amino-N'-(2,3-difluorophenyl)propanimidamide.

Molecular Properties

Compound NameN-amino-N'-(2,3-difluorophenyl)propanimidamide
PubChem CID67571427
Molecular FormulaC9H11F2N3
Molecular Weight199.20 g/mol
Exact Mass199.09
IUPAC NameN-amino-N'-(2,3-difluorophenyl)propanimidamide
SMILESCC/C(=N\c1cccc(F)c1F)NN
InChIInChI=1S/C9H11F2N3/c1-2-8(14-12)13-7-5-3-4-6(10)9(7)11/h3-5H,2,12H2,1H3,(H,13,14)
InChIKeySMOITCGESYVLLY-UHFFFAOYSA-N
XLogP1.87
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.20
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', '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-amino-N'-(2,3-difluorophenyl)propanimidamide?
The IUPAC name of N-amino-N'-(2,3-difluorophenyl)propanimidamide (CID 67571427) is N-amino-N'-(2,3-difluorophenyl)propanimidamide.
What is the SMILES notation for N-amino-N'-(2,3-difluorophenyl)propanimidamide?
The canonical SMILES for N-amino-N'-(2,3-difluorophenyl)propanimidamide is CC/C(=N\c1cccc(F)c1F)NN.
What is the InChIKey of N-amino-N'-(2,3-difluorophenyl)propanimidamide?
The InChIKey is SMOITCGESYVLLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3/c1-2-8(14-12)13-7-5-3-4-6(10)9(7)11/h3-5H,2,12H2,1H3,(H,13,14).
What are the key properties of N-amino-N'-(2,3-difluorophenyl)propanimidamide?
N-amino-N'-(2,3-difluorophenyl)propanimidamide has a molecular weight of 199.20 g/mol, XLogP of 1.87, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-amino-N'-(2,3-difluorophenyl)propanimidamide is sourced from PubChem (CID 67571427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).