N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

C11H13F3N2 — CID 154723292

IUPACN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16)
InChIKeyVCFJEXLKIYMUOQ-UHFFFAOYSA-N
MW230.23 g/mol
LogP2.82
Rot. Bonds3

About N'-propyl-4-(trifluoromethyl)benzenecarboximidamide

N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (PubChem CID 154723292) has the molecular formula C11H13F3N2 and a molecular weight of 230.23 g/mol. Its IUPAC name is N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.

Molecular Properties

Compound NameN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
PubChem CID154723292
Molecular FormulaC11H13F3N2
Molecular Weight230.23 g/mol
Exact Mass230.10
IUPAC NameN'-propyl-4-(trifluoromethyl)benzenecarboximidamide
SMILESCCC/N=C(\N)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16)
InChIKeyVCFJEXLKIYMUOQ-UHFFFAOYSA-N
XLogP2.82
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'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'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The IUPAC name of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide (CID 154723292) is N'-propyl-4-(trifluoromethyl)benzenecarboximidamide.
What is the SMILES notation for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The canonical SMILES for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is CCC/N=C(\N)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
The InChIKey is VCFJEXLKIYMUOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N2/c1-2-7-16-10(15)8-3-5-9(6-4-8)11(12,13)14/h3-6H,2,7H2,1H3,(H2,15,16).
What are the key properties of N'-propyl-4-(trifluoromethyl)benzenecarboximidamide?
N'-propyl-4-(trifluoromethyl)benzenecarboximidamide has a molecular weight of 230.23 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-propyl-4-(trifluoromethyl)benzenecarboximidamide is sourced from PubChem (CID 154723292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).