2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride

C9H10ClF3N4 — CID 86278990

IUPAC2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N4.ClH/c10-9(11,12)7-3-1-2-6(4-7)5-15-16-8(13)14;/h1-5H,(H4,13,14,16);1H/b15-5+;
InChIKeyQNHBCGNFUAYHHS-GBDQXREISA-N
MW266.65 g/mol
LogP1.73
Rot. Bonds2

About 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride

2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride (PubChem CID 86278990) has the molecular formula C9H10ClF3N4 and a molecular weight of 266.65 g/mol. Its IUPAC name is 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
PubChem CID86278990
Molecular FormulaC9H10ClF3N4
Molecular Weight266.65 g/mol
Exact Mass266.05
IUPAC Name2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=N/N=C/c1cccc(C(F)(F)F)c1
InChIInChI=1S/C9H9F3N4.ClH/c10-9(11,12)7-3-1-2-6(4-7)5-15-16-8(13)14;/h1-5H,(H4,13,14,16);1H/b15-5+;
InChIKeyQNHBCGNFUAYHHS-GBDQXREISA-N
XLogP1.73
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.65
LogP ≤ 51.73
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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Related Compounds

2-[[3-(2,2,2-trifluoroethoxy)phenyl]methylideneamino]guanidine
CID 168592270
2-[[3-(3-fluorophenyl)phenyl]methylideneamino]guanidine
CID 168590584
2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 86598831
2-[(E)-[3-[4-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl]phenyl]methylideneamino]guanidine
CID 134136656
2-[(E)-benzylideneamino]guanidine;hydrobromide
CID 75485430
2-[[4-(1,1-difluoroethyl)phenyl]methylideneamino]guanidine
CID 168591146
2-[[3-(trifluoromethyl)-1-benzothiophen-5-yl]methylideneamino]guanidine
CID 168591638
2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
N-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]acetamide
CID 5341237
(E)-N-phenoxy-1-[3-(trifluoromethyl)phenyl]methanimine
CID 11242540
4-(trifluoromethyl)-N-[[3-(trifluoromethyl)phenyl]methylideneamino]aniline
CID 110841790

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride (CID 86278990) is 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride is Cl.NC(N)=N/N=C/c1cccc(C(F)(F)F)c1.
What is the InChIKey of 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride?
The InChIKey is QNHBCGNFUAYHHS-GBDQXREISA-N. The full InChI is InChI=1S/C9H9F3N4.ClH/c10-9(11,12)7-3-1-2-6(4-7)5-15-16-8(13)14;/h1-5H,(H4,13,14,16);1H/b15-5+;.
What are the key properties of 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride?
2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride has a molecular weight of 266.65 g/mol, XLogP of 1.73, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[3-(trifluoromethyl)phenyl]methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 86278990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).