2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide

C14H12F2N2O — CID 43658905

IUPAC2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C14H12F2N2O/c15-11-6-3-4-9(13(11)16)8-19-12-7-2-1-5-10(12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyJUYBCWGZONVHMU-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide

2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide (PubChem CID 43658905) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
PubChem CID43658905
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1OCc1cccc(F)c1F
InChIInChI=1S/C14H12F2N2O/c15-11-6-3-4-9(13(11)16)8-19-12-7-2-1-5-10(12)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyJUYBCWGZONVHMU-UHFFFAOYSA-N
XLogP2.83
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
3-[(2,3-dimethylphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118135
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
CID 55168136
4-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658904
2-[(2-fluorophenyl)methoxy]pyridine-3-carboximidamide
CID 63937561
3-[(2,3-difluorophenoxy)methyl]-2-fluoro-N'-hydroxybenzenecarboximidamide
CID 107117654
2-fluoro-3-[[4-(hydroxymethyl)phenoxy]methyl]benzenecarboximidamide
CID 107118184
2-[2-[(2,3-difluorophenyl)methoxy]phenyl]acetic acid
CID 80742274
1-[[2-[(2,3-difluorophenoxy)methyl]phenyl]methoxy]-2,3-difluorobenzene
CID 174920306

Frequently Asked Questions

What is the IUPAC name of 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The IUPAC name of 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide (CID 43658905) is 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide.
What is the SMILES notation for 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The canonical SMILES for 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1OCc1cccc(F)c1F.
What is the InChIKey of 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
The InChIKey is JUYBCWGZONVHMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-11-6-3-4-9(13(11)16)8-19-12-7-2-1-5-10(12)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide?
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide has a molecular weight of 262.26 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide is sourced from PubChem (CID 43658905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).