1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine

C10H12F3N5 — CID 168602213

IUPAC1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine
SMILESCc1ccc(C(F)(F)F)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C10H12F3N5/c1-5-2-3-6(10(11,12)13)7(4-5)17-9(16)18-8(14)15/h2-4H,1H3,(H6,14,15,16,17,18)
InChIKeyFRIUTMVXMSBYHE-UHFFFAOYSA-N
MW259.24 g/mol
LogP1.23
Rot. Bonds1

About 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine

1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine (PubChem CID 168602213) has the molecular formula C10H12F3N5 and a molecular weight of 259.24 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine
PubChem CID168602213
Molecular FormulaC10H12F3N5
Molecular Weight259.24 g/mol
Exact Mass259.10
IUPAC Name1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine
SMILESCc1ccc(C(F)(F)F)c(/N=C(\N)N=C(N)N)c1
InChIInChI=1S/C10H12F3N5/c1-5-2-3-6(10(11,12)13)7(4-5)17-9(16)18-8(14)15/h2-4H,1H3,(H6,14,15,16,17,18)
InChIKeyFRIUTMVXMSBYHE-UHFFFAOYSA-N
XLogP1.23
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.24
LogP ≤ 51.23
H-Bond Donors ≤ 53
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

bis(1-(diaminomethylidene)-2-(2,4-dimethylphenyl)guanidine);ethene
CID 70011870
2-[4-bromo-2-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605723
2-[2-bromo-3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168601762
2-[2-acetyl-3,5-bis(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605555
[5-methyl-2-(trifluoromethyl)phenyl]thiourea
CID 86633158
1-(diaminomethylidene)-2-[4-methylsulfonyl-3-(trifluoromethyl)phenyl]guanidine
CID 168604054
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-[4-bromo-3-fluoro-2-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168605940
1-(diaminomethylidene)-2-(2,6-difluoro-4-methylphenyl)guanidine
CID 21161438
[5-methyl-2-(trifluoromethyl)phenyl]hydrazine;hydrochloride
CID 69179187
1-(diaminomethylidene)-2-(2,3,4-trifluorophenyl)guanidine
CID 23086866
2-[4-bromo-2-fluoro-6-(trifluoromethyl)phenyl]-1-(diaminomethylidene)guanidine
CID 168603393

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine (CID 168602213) is 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine is Cc1ccc(C(F)(F)F)c(/N=C(\N)N=C(N)N)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is FRIUTMVXMSBYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F3N5/c1-5-2-3-6(10(11,12)13)7(4-5)17-9(16)18-8(14)15/h2-4H,1H3,(H6,14,15,16,17,18).
What are the key properties of 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 259.24 g/mol, XLogP of 1.23, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[5-methyl-2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 168602213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).