2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide

C13H9F3N2O — CID 55233910

IUPAC2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-7-1-2-12(11(6-7)13(17)18)19-10-4-8(15)3-9(16)5-10/h1-6H,(H3,17,18)
InChIKeyKHYSABCYNRPYQI-UHFFFAOYSA-N
MW266.22 g/mol
LogP3.18
Rot. Bonds3

About 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide

2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide (PubChem CID 55233910) has the molecular formula C13H9F3N2O and a molecular weight of 266.22 g/mol. Its IUPAC name is 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide.

Molecular Properties

Compound Name2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
PubChem CID55233910
Molecular FormulaC13H9F3N2O
Molecular Weight266.22 g/mol
Exact Mass266.07
IUPAC Name2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide
SMILES[H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(F)c1
InChIInChI=1S/C13H9F3N2O/c14-7-1-2-12(11(6-7)13(17)18)19-10-4-8(15)3-9(16)5-10/h1-6H,(H3,17,18)
InChIKeyKHYSABCYNRPYQI-UHFFFAOYSA-N
XLogP3.18
TPSA59.10 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.22
LogP ≤ 53.18
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-(3-bromo-5-fluorophenoxy)-5-fluorobenzenecarboximidamide
CID 81332304
2-(3-bromophenoxy)-5-fluorobenzenecarboximidamide
CID 63668840
5-bromo-2-(3-fluorophenoxy)benzenecarboximidamide
CID 114893189
2-(3-bromo-5-nitrophenoxy)-5-fluorobenzenecarboximidamide
CID 103588737
3-chloro-4-(3,5-difluorophenoxy)benzenecarboximidamide
CID 63086917
5-fluoro-2-(1-propylpyrazol-4-yl)oxybenzenecarboximidamide
CID 116801547
2-(4-bromo-2,5-dichlorophenoxy)-5-fluorobenzenecarboximidamide
CID 107658452
5-fluoro-2-[2-(2-hydroxyethyl)phenoxy]benzenecarboximidamide
CID 107712610
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-5-fluorobenzenecarboximidamide
CID 103174866
5-fluoro-2-[4-(hydroxymethyl)-2-methoxyphenoxy]benzenecarboximidamide
CID 107743256
2-(3-bromo-5-fluorophenoxy)-4-methylbenzenecarboximidamide
CID 81332379
2-[3-(dimethylamino)propoxy]-5-fluorobenzenecarboximidamide
CID 63667993

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide?
The IUPAC name of 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide (CID 55233910) is 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide.
What is the SMILES notation for 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide?
The canonical SMILES for 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide is [H]/N=C(\N)c1cc(F)ccc1Oc1cc(F)cc(F)c1.
What is the InChIKey of 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide?
The InChIKey is KHYSABCYNRPYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N2O/c14-7-1-2-12(11(6-7)13(17)18)19-10-4-8(15)3-9(16)5-10/h1-6H,(H3,17,18).
What are the key properties of 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide?
2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide has a molecular weight of 266.22 g/mol, XLogP of 3.18, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-difluorophenoxy)-5-fluorobenzenecarboximidamide is sourced from PubChem (CID 55233910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).