2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine

C10H10ClF3N4 — CID 44542322

IUPAC2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N4/c1-5(17-18-9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,1H3,(H4,15,16,18)/b17-5+
InChIKeyRCNQAYLQXHSAOM-YAXRCOADSA-N
MW278.67 g/mol
LogP2.36
Rot. Bonds2

About 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine

2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine (PubChem CID 44542322) has the molecular formula C10H10ClF3N4 and a molecular weight of 278.67 g/mol. Its IUPAC name is 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine
PubChem CID44542322
Molecular FormulaC10H10ClF3N4
Molecular Weight278.67 g/mol
Exact Mass278.05
IUPAC Name2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine
SMILESC/C(=N\N=C(N)N)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C10H10ClF3N4/c1-5(17-18-9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,1H3,(H4,15,16,18)/b17-5+
InChIKeyRCNQAYLQXHSAOM-YAXRCOADSA-N
XLogP2.36
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.67
LogP ≤ 52.36
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-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The IUPAC name of 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine (CID 44542322) is 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine.
What is the SMILES notation for 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The canonical SMILES for 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine is C/C(=N\N=C(N)N)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
The InChIKey is RCNQAYLQXHSAOM-YAXRCOADSA-N. The full InChI is InChI=1S/C10H10ClF3N4/c1-5(17-18-9(15)16)6-2-3-8(11)7(4-6)10(12,13)14/h2-4H,1H3,(H4,15,16,18)/b17-5+.
What are the key properties of 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine?
2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine has a molecular weight of 278.67 g/mol, XLogP of 2.36, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-chloro-3-(trifluoromethyl)phenyl]ethylideneamino]guanidine is sourced from PubChem (CID 44542322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).