2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide

C14H12F2N2O — CID 55168136

IUPAC2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O/c15-10-5-6-12(16)13(7-10)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyURCNDPYWDMDUHU-UHFFFAOYSA-N
MW262.26 g/mol
LogP2.83
Rot. Bonds4

About 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide

2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide (PubChem CID 55168136) has the molecular formula C14H12F2N2O and a molecular weight of 262.26 g/mol. Its IUPAC name is 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide.

Molecular Properties

Compound Name2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
PubChem CID55168136
Molecular FormulaC14H12F2N2O
Molecular Weight262.26 g/mol
Exact Mass262.09
IUPAC Name2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide
SMILES[H]/N=C(\N)c1ccccc1COc1cc(F)ccc1F
InChIInChI=1S/C14H12F2N2O/c15-10-5-6-12(16)13(7-10)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H3,17,18)
InChIKeyURCNDPYWDMDUHU-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

2-[(2,4-difluorophenyl)methoxy]benzenecarboximidamide
CID 62196027
2-[(2-ethylphenoxy)methyl]-5-fluorobenzenecarboximidamide
CID 63291072
2-[(2,3-difluorophenyl)methoxy]benzenecarboximidamide
CID 43658905
2-[(3-bromo-5-fluorophenoxy)methyl]benzenecarboximidamide
CID 81331316
3-[(2-ethoxyphenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118134
2-[(4-fluorophenyl)methoxymethyl]benzenecarboximidamide;hydrochloride
CID 82240740
3-[(2-bromophenoxy)methyl]-2-fluorobenzenecarboximidamide
CID 107118102
2-[(2-bromophenyl)methoxy]benzenecarboximidamide;hydrochloride
CID 82253873
2-[(2-bromophenyl)methoxymethyl]-5-fluorobenzenecarboximidamide
CID 82823576
2-[(2-methyl-5-propan-2-ylphenoxy)methyl]benzenecarboximidamide
CID 61034967
3-(2,5-difluorophenoxy)propanimidamide
CID 63269341
2-[(3-bromo-5-fluorophenyl)methoxy]benzenecarboximidamide
CID 79706034

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide?
The IUPAC name of 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide (CID 55168136) is 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide.
What is the SMILES notation for 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide?
The canonical SMILES for 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide is [H]/N=C(\N)c1ccccc1COc1cc(F)ccc1F.
What is the InChIKey of 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide?
The InChIKey is URCNDPYWDMDUHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N2O/c15-10-5-6-12(16)13(7-10)19-8-9-3-1-2-4-11(9)14(17)18/h1-7H,8H2,(H3,17,18).
What are the key properties of 2-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide?
2-[(2,5-difluorophenoxy)methyl]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-[(2,5-difluorophenoxy)methyl]benzenecarboximidamide is sourced from PubChem (CID 55168136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).