N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide

C11H10ClF3N2 — CID 63174554

IUPACN'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide
SMILESN/C(=N/c1c(Cl)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H10ClF3N2/c12-8-3-1-2-7(11(13,14)15)9(8)17-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,16,17)
InChIKeyMVKRXYXGDDYYTG-UHFFFAOYSA-N
MW262.66 g/mol
LogP3.76
Rot. Bonds2

About N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide

N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide (PubChem CID 63174554) has the molecular formula C11H10ClF3N2 and a molecular weight of 262.66 g/mol. Its IUPAC name is N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide
PubChem CID63174554
Molecular FormulaC11H10ClF3N2
Molecular Weight262.66 g/mol
Exact Mass262.05
IUPAC NameN'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide
SMILESN/C(=N/c1c(Cl)cccc1C(F)(F)F)C1CC1
InChIInChI=1S/C11H10ClF3N2/c12-8-3-1-2-7(11(13,14)15)9(8)17-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,16,17)
InChIKeyMVKRXYXGDDYYTG-UHFFFAOYSA-N
XLogP3.76
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.66
LogP ≤ 53.76
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'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide (CID 63174554) is N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide is N/C(=N/c1c(Cl)cccc1C(F)(F)F)C1CC1.
What is the InChIKey of N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide?
The InChIKey is MVKRXYXGDDYYTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClF3N2/c12-8-3-1-2-7(11(13,14)15)9(8)17-10(16)6-4-5-6/h1-3,6H,4-5H2,(H2,16,17).
What are the key properties of N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide?
N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide has a molecular weight of 262.66 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-chloro-6-(trifluoromethyl)phenyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63174554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).