1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine

C9H9F3N4O — CID 11820804

IUPAC1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESN/C(=N\N=C\c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-2-6(4-7)5-14-15-8(13)16-17/h1-5,17H,(H3,13,15,16)/b14-5+
InChIKeyZYBKAXYYMGIVAE-LHHJGKSTSA-N
MW246.19 g/mol
LogP1.33
Rot. Bonds2

About 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine

1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine (PubChem CID 11820804) has the molecular formula C9H9F3N4O and a molecular weight of 246.19 g/mol. Its IUPAC name is 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine
PubChem CID11820804
Molecular FormulaC9H9F3N4O
Molecular Weight246.19 g/mol
Exact Mass246.07
IUPAC Name1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESN/C(=N\N=C\c1cccc(C(F)(F)F)c1)NO
InChIInChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-2-6(4-7)5-14-15-8(13)16-17/h1-5,17H,(H3,13,15,16)/b14-5+
InChIKeyZYBKAXYYMGIVAE-LHHJGKSTSA-N
XLogP1.33
TPSA83.00 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.19
LogP ≤ 51.33
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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine (CID 11820804) is 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine is N/C(=N\N=C\c1cccc(C(F)(F)F)c1)NO.
What is the InChIKey of 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The InChIKey is ZYBKAXYYMGIVAE-LHHJGKSTSA-N. The full InChI is InChI=1S/C9H9F3N4O/c10-9(11,12)7-3-1-2-6(4-7)5-14-15-8(13)16-17/h1-5,17H,(H3,13,15,16)/b14-5+.
What are the key properties of 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine?
1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine has a molecular weight of 246.19 g/mol, XLogP of 1.33, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 11820804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).