2-[4-(trifluoromethyl)phenyl]guanidine

C8H8F3N3 — CID 19841587

IUPAC2-[4-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
InChIKeyIUNFWMWQNWQIFS-UHFFFAOYSA-N
MW203.17 g/mol
LogP1.61
Rot. Bonds1

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

2-[4-(trifluoromethyl)phenyl]guanidine (PubChem CID 19841587) has the molecular formula C8H8F3N3 and a molecular weight of 203.17 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)phenyl]guanidine
PubChem CID19841587
Molecular FormulaC8H8F3N3
Molecular Weight203.17 g/mol
Exact Mass203.07
IUPAC Name2-[4-(trifluoromethyl)phenyl]guanidine
SMILESNC(N)=Nc1ccc(C(F)(F)F)cc1
InChIInChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14)
InChIKeyIUNFWMWQNWQIFS-UHFFFAOYSA-N
XLogP1.61
TPSA64.40 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.17
LogP ≤ 51.61
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

4-(Trifluoromethyl)aniline
CID 9964
o-Tolylbiguanide
CID 7155
4-Aminostyrene
CID 73700
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
3-Fluoro-4-methylaniline
CID 9957
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
Imidodicarbonimidic diamide, N-(2,4-dimethylphenyl)-
CID 20879
N-Phenylbenzamidine
CID 200127
2-Fluoro-4-methylaniline
CID 67984
1-(4-Cyanophenyl)guanidine
CID 17747914
Guanidine, 4,4'-methylenediphenyldi-
CID 24484
Di-p-tolylcarbodiimide
CID 69763

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 2-[4-(trifluoromethyl)phenyl]guanidine (CID 19841587) is 2-[4-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 2-[4-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 2-[4-(trifluoromethyl)phenyl]guanidine is NC(N)=Nc1ccc(C(F)(F)F)cc1.
What is the InChIKey of 2-[4-(trifluoromethyl)phenyl]guanidine?
The InChIKey is IUNFWMWQNWQIFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3/c9-8(10,11)5-1-3-6(4-2-5)14-7(12)13/h1-4H,(H4,12,13,14).
What are the key properties of 2-[4-(trifluoromethyl)phenyl]guanidine?
2-[4-(trifluoromethyl)phenyl]guanidine has a molecular weight of 203.17 g/mol, XLogP of 1.61, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 19841587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).