2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine

C8H8F2N4O — CID 173024102

IUPAC2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C/c1ccc(F)c(F)c1)NO
InChIInChI=1S/C8H8F2N4O/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
InChIKeySCOPVKOMYHNLAS-UUILKARUSA-N
MW214.18 g/mol
LogP0.59
Rot. Bonds2

About 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine

2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine (PubChem CID 173024102) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine.

Molecular Properties

Compound Name2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
PubChem CID173024102
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine
SMILESNC(=N/N=C/c1ccc(F)c(F)c1)NO
InChIInChI=1S/C8H8F2N4O/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+
InChIKeySCOPVKOMYHNLAS-UUILKARUSA-N
XLogP0.59
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.59
H-Bond Donors ≤ 53
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': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-(4-bromo-3-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023981
2-[(E)-(4-chlorophenyl)methylideneamino]-1-hydroxyguanidine
CID 173023950
2-[(E)-(4-fluoro-3-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 10158636
2-[(4-bromophenyl)methylideneamino]-1-hydroxyguanidine
CID 72952246
1-hydroxy-2-[(E)-[4-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 171927858
1-hydroxy-2-[(3-hydroxyphenyl)methylideneamino]guanidine
CID 91318169
2-[(E)-(3-bromo-4-fluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 10297437
2-[(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 91185838
2-[(E)-(4-bromo-2-fluorophenyl)methylideneamino]-1-hydroxyguanidine
CID 139982870
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
2-[(2-fluoro-5-nitrophenyl)methylideneamino]-1-hydroxyguanidine
CID 90876369

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine?
The IUPAC name of 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine (CID 173024102) is 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine.
What is the SMILES notation for 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine?
The canonical SMILES for 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine is NC(=N/N=C/c1ccc(F)c(F)c1)NO.
What is the InChIKey of 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine?
The InChIKey is SCOPVKOMYHNLAS-UUILKARUSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-6-2-1-5(3-7(6)10)4-12-13-8(11)14-15/h1-4,15H,(H3,11,13,14)/b12-4+.
What are the key properties of 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine?
2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine has a molecular weight of 214.18 g/mol, XLogP of 0.59, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-(3,4-difluorophenyl)methylideneamino]-1-hydroxyguanidine is sourced from PubChem (CID 173024102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).