2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine

C10H8F6N4 — CID 86598831

IUPAC2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6N4/c11-9(12,13)6-2-1-5(4-19-20-8(17)18)7(3-6)10(14,15)16/h1-4H,(H4,17,18,20)
InChIKeyWVTABVUILRQDSP-UHFFFAOYSA-N
MW298.19 g/mol
LogP2.33
Rot. Bonds2

About 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine

2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine (PubChem CID 86598831) has the molecular formula C10H8F6N4 and a molecular weight of 298.19 g/mol. Its IUPAC name is 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine
PubChem CID86598831
Molecular FormulaC10H8F6N4
Molecular Weight298.19 g/mol
Exact Mass298.07
IUPAC Name2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(C(F)(F)F)cc1C(F)(F)F
InChIInChI=1S/C10H8F6N4/c11-9(12,13)6-2-1-5(4-19-20-8(17)18)7(3-6)10(14,15)16/h1-4H,(H4,17,18,20)
InChIKeyWVTABVUILRQDSP-UHFFFAOYSA-N
XLogP2.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.19
LogP ≤ 52.33
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'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine (CID 86598831) is 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc(C(F)(F)F)cc1C(F)(F)F.
What is the InChIKey of 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine?
The InChIKey is WVTABVUILRQDSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F6N4/c11-9(12,13)6-2-1-5(4-19-20-8(17)18)7(3-6)10(14,15)16/h1-4H,(H4,17,18,20).
What are the key properties of 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine?
2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine has a molecular weight of 298.19 g/mol, XLogP of 2.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 86598831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).