N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide

C11H12F2N2 — CID 63792797

IUPACN'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide
SMILESN/C(=N\Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H12F2N2/c12-9-3-4-10(13)8(5-9)6-15-11(14)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15)
InChIKeyFZMDDTQRIDZFIZ-UHFFFAOYSA-N
MW210.23 g/mol
LogP2.23
Rot. Bonds3

About N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide

N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide (PubChem CID 63792797) has the molecular formula C11H12F2N2 and a molecular weight of 210.23 g/mol. Its IUPAC name is N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide
PubChem CID63792797
Molecular FormulaC11H12F2N2
Molecular Weight210.23 g/mol
Exact Mass210.10
IUPAC NameN'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide
SMILESN/C(=N\Cc1cc(F)ccc1F)C1CC1
InChIInChI=1S/C11H12F2N2/c12-9-3-4-10(13)8(5-9)6-15-11(14)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15)
InChIKeyFZMDDTQRIDZFIZ-UHFFFAOYSA-N
XLogP2.23
TPSA38.38 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.23
LogP ≤ 52.23
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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Related Compounds

N'-[(2,5-difluorophenyl)methyl]morpholine-4-carboximidamide
CID 111800968
N'-[(2,5-difluorophenyl)methyl]thiomorpholine-4-carboximidamide
CID 111801004
N-[2-[[N'-[(2,5-difluorophenyl)methyl]-N-ethylcarbamimidoyl]amino]ethyl]cyclopropanecarboxamide
CID 111901691
1-cyclopropyl-3-(2,5-difluorophenyl)propan-1-one
CID 63351882
N'-[(5-bromo-2-fluorophenyl)methyl]-4-methylpiperidine-1-carboximidamide
CID 110919760
2-(2,5-difluorophenyl)-1-(3-methylcyclopentyl)ethanone
CID 65402969
2-[(2,5-difluorophenyl)methyl]-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111800959
ethyl 4-[[N'-[(2,5-difluorophenyl)methyl]carbamimidoyl]amino]piperidine-1-carboxylate;hydroiodide
CID 111800979
2-(2,5-difluorophenyl)acetamide
CID 21245498
N'-[(5-bromo-2-fluorophenyl)methyl]pyrrolidine-1-carboximidamide
CID 75493910
2-[(2,5-difluorophenyl)methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111800997
1-cyclopropyl-4-(2,5-difluorophenyl)butan-1-one
CID 64502889

Frequently Asked Questions

What is the IUPAC name of N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide (CID 63792797) is N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide is N/C(=N\Cc1cc(F)ccc1F)C1CC1.
What is the InChIKey of N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide?
The InChIKey is FZMDDTQRIDZFIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F2N2/c12-9-3-4-10(13)8(5-9)6-15-11(14)7-1-2-7/h3-5,7H,1-2,6H2,(H2,14,15).
What are the key properties of N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide?
N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide has a molecular weight of 210.23 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(2,5-difluorophenyl)methyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63792797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).