2-[[4-(trifluoromethyl)phenyl]methyl]guanidine

C9H10F3N3 — CID 26789

IUPAC2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14/h1-4H,5H2,(H4,13,14,15)
InChIKeyXMMKZZRJMIIBED-UHFFFAOYSA-N
MW217.19 g/mol
LogP1.48
Rot. Bonds2

About 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine

2-[[4-(trifluoromethyl)phenyl]methyl]guanidine (PubChem CID 26789) has the molecular formula C9H10F3N3 and a molecular weight of 217.19 g/mol. Its IUPAC name is 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine.

Molecular Properties

Compound Name2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
PubChem CID26789
Molecular FormulaC9H10F3N3
Molecular Weight217.19 g/mol
Exact Mass217.08
IUPAC Name2-[[4-(trifluoromethyl)phenyl]methyl]guanidine
SMILESNC(N)=NCc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14/h1-4H,5H2,(H4,13,14,15)
InChIKeyXMMKZZRJMIIBED-UHFFFAOYSA-N
XLogP1.48
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.19
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

Phenformin
CID 8249
3-Iodobenzylguanidine
CID 60860
1,4-Benzenedimethanamine
CID 68315
N-(Phenylmethyl)guanidine
CID 16644
Iobenguane I-123
CID 135326
Iobenguane I-131
CID 71184
4-(Trifluoromethyl)benzylamine
CID 76804
Benzenemethanamine, N-methyl-4-(trifluoromethyl)-
CID 485420
4-(Trifluoromethyl)benzenecarboximidamide
CID 2777390
2-Benzyl-1-cyanoguanidine
CID 373917
4-(3,3,4,4,5,5,6,6,7,7,8,8,9,9,10,10,10-Heptadecafluorodecyl)benzylamine
CID 16211122
N-Benzylacetamidine Hydrobromide
CID 25231659

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The IUPAC name of 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine (CID 26789) is 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine.
What is the SMILES notation for 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The canonical SMILES for 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine is NC(N)=NCc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
The InChIKey is XMMKZZRJMIIBED-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3N3/c10-9(11,12)7-3-1-6(2-4-7)5-15-8(13)14/h1-4H,5H2,(H4,13,14,15).
What are the key properties of 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine?
2-[[4-(trifluoromethyl)phenyl]methyl]guanidine has a molecular weight of 217.19 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(trifluoromethyl)phenyl]methyl]guanidine is sourced from PubChem (CID 26789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).