2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide

C10H9BrF4N2O2 — CID 114883471

IUPAC2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H9BrF4N2O2/c11-5-2-1-3-6(7(5)8(16)17-18)19-4-10(14,15)9(12)13/h1-3,9,18H,4H2,(H2,16,17)
InChIKeyNXVCXMXKXXRCMY-UHFFFAOYSA-N
MW345.09 g/mol
LogP2.82
Rot. Bonds5

About 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide

2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide (PubChem CID 114883471) has the molecular formula C10H9BrF4N2O2 and a molecular weight of 345.09 g/mol. Its IUPAC name is 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide.

Molecular Properties

Compound Name2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
PubChem CID114883471
Molecular FormulaC10H9BrF4N2O2
Molecular Weight345.09 g/mol
Exact Mass343.98
IUPAC Name2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide
SMILESN/C(=N/O)c1c(Br)cccc1OCC(F)(F)C(F)F
InChIInChI=1S/C10H9BrF4N2O2/c11-5-2-1-3-6(7(5)8(16)17-18)19-4-10(14,15)9(12)13/h1-3,9,18H,4H2,(H2,16,17)
InChIKeyNXVCXMXKXXRCMY-UHFFFAOYSA-N
XLogP2.82
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.09
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Related Compounds

2-bromo-N'-hydroxy-6-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenecarboximidamide
CID 114883559
2-bromo-N'-hydroxy-6-[2-(2-methylpropoxy)ethoxy]benzenecarboximidamide
CID 106447734
2-chloro-N'-hydroxy-6-(2,2,2-trifluoroethoxy)benzenecarboximidamide
CID 55079423
2-bromo-1-fluoro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513356
2-bromo-6-(2-butoxyethoxy)-N'-hydroxybenzenecarboximidamide
CID 114883463
2-bromo-1-chloro-3-(2,2,3,3-tetrafluoropropoxy)benzene
CID 176513372
2-bromo-6-cycloheptyloxy-N'-hydroxybenzenecarboximidamide
CID 114883493
2-bromo-N'-hydroxy-6-(2-methoxyphenoxy)benzenecarboximidamide
CID 114883406
2-(2,2,3,3-tetrafluoropropoxy)benzenecarbothioamide
CID 29004799
2-bromo-6-(2-bromo-5-fluorophenoxy)-N'-hydroxybenzenecarboximidamide
CID 114883547
2-(2,2-difluoroethoxy)-6-fluoro-N'-hydroxybenzenecarboximidamide
CID 115281262
2-bromo-N'-hydroxy-6-(1-phenylethoxy)benzenecarboximidamide
CID 114883423

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The IUPAC name of 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide (CID 114883471) is 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide.
What is the SMILES notation for 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The canonical SMILES for 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide is N/C(=N/O)c1c(Br)cccc1OCC(F)(F)C(F)F.
What is the InChIKey of 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
The InChIKey is NXVCXMXKXXRCMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrF4N2O2/c11-5-2-1-3-6(7(5)8(16)17-18)19-4-10(14,15)9(12)13/h1-3,9,18H,4H2,(H2,16,17).
What are the key properties of 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide?
2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide has a molecular weight of 345.09 g/mol, XLogP of 2.82, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N'-hydroxy-6-(2,2,3,3-tetrafluoropropoxy)benzenecarboximidamide is sourced from PubChem (CID 114883471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).