1,2-bis[2-(trifluoromethyl)phenyl]guanidine

C15H11F6N3 — CID 14771670

IUPAC1,2-bis[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)
InChIKeyGCDIAKOXXFRRPE-UHFFFAOYSA-N
MW347.26 g/mol
LogP4.78
Rot. Bonds2

About 1,2-bis[2-(trifluoromethyl)phenyl]guanidine

1,2-bis[2-(trifluoromethyl)phenyl]guanidine (PubChem CID 14771670) has the molecular formula C15H11F6N3 and a molecular weight of 347.26 g/mol. Its IUPAC name is 1,2-bis[2-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1,2-bis[2-(trifluoromethyl)phenyl]guanidine
PubChem CID14771670
Molecular FormulaC15H11F6N3
Molecular Weight347.26 g/mol
Exact Mass347.09
IUPAC Name1,2-bis[2-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24)
InChIKeyGCDIAKOXXFRRPE-UHFFFAOYSA-N
XLogP4.78
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.26
LogP ≤ 54.78
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

Diphenylguanidine
CID 7594
Di-o-tolylguanidine
CID 7333
2-(Trifluoromethyl)quinazoline-4-thiol
CID 2560383
Flutonidine
CID 65761
Diphenylguanidine hydrochloride
CID 520104
Guanidine, N,N'-bis(methylphenyl)-
CID 41011
N,N'-Di-(m-trifluoromethylphenyl)urea
CID 136250
1-(3,5-Dimetilfenil)3-(2-(trifluorometil)phenil)guanidina
CID 71543346
Thiourea, N-[2-(trifluoromethyl)phenyl]-
CID 737227
N,N'-Bis-(4-hexyl-phenyl)-guanidine
CID 9821194
N,N'-Bis-(4-butyl-phenyl)-guanidine
CID 10496171
N,N'-Bis-(4-sec-butyl-phenyl)-guanidine
CID 10526122

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[2-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1,2-bis[2-(trifluoromethyl)phenyl]guanidine (CID 14771670) is 1,2-bis[2-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1,2-bis[2-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1,2-bis[2-(trifluoromethyl)phenyl]guanidine is N/C(=N\c1ccccc1C(F)(F)F)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 1,2-bis[2-(trifluoromethyl)phenyl]guanidine?
The InChIKey is GCDIAKOXXFRRPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F6N3/c16-14(17,18)9-5-1-3-7-11(9)23-13(22)24-12-8-4-2-6-10(12)15(19,20)21/h1-8H,(H3,22,23,24).
What are the key properties of 1,2-bis[2-(trifluoromethyl)phenyl]guanidine?
1,2-bis[2-(trifluoromethyl)phenyl]guanidine has a molecular weight of 347.26 g/mol, XLogP of 4.78, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[2-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 14771670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).