N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide

C10H9F3N2 — CID 63174221

IUPACN'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide
SMILESN/C(=N\c1cc(F)cc(F)c1F)C1CC1
InChIInChI=1S/C10H9F3N2/c11-6-3-7(12)9(13)8(4-6)15-10(14)5-1-2-5/h3-5H,1-2H2,(H2,14,15)
InChIKeyVQTAAGVFCOOLEZ-UHFFFAOYSA-N
MW214.19 g/mol
LogP2.50
Rot. Bonds2

About N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide

N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide (PubChem CID 63174221) has the molecular formula C10H9F3N2 and a molecular weight of 214.19 g/mol. Its IUPAC name is N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide
PubChem CID63174221
Molecular FormulaC10H9F3N2
Molecular Weight214.19 g/mol
Exact Mass214.07
IUPAC NameN'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide
SMILESN/C(=N\c1cc(F)cc(F)c1F)C1CC1
InChIInChI=1S/C10H9F3N2/c11-6-3-7(12)9(13)8(4-6)15-10(14)5-1-2-5/h3-5H,1-2H2,(H2,14,15)
InChIKeyVQTAAGVFCOOLEZ-UHFFFAOYSA-N
XLogP2.50
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.19
LogP ≤ 52.50
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-trifluorophenyl)cyclopropanecarboximidamide?
The IUPAC name of N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide (CID 63174221) is N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide.
What is the SMILES notation for N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide?
The canonical SMILES for N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide is N/C(=N\c1cc(F)cc(F)c1F)C1CC1.
What is the InChIKey of N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide?
The InChIKey is VQTAAGVFCOOLEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2/c11-6-3-7(12)9(13)8(4-6)15-10(14)5-1-2-5/h3-5H,1-2H2,(H2,14,15).
What are the key properties of N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide?
N'-(2,3,5-trifluorophenyl)cyclopropanecarboximidamide has a molecular weight of 214.19 g/mol, XLogP of 2.50, 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-trifluorophenyl)cyclopropanecarboximidamide is sourced from PubChem (CID 63174221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).