1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine

C8H8F3N3O — CID 10955037

IUPAC1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14-15/h1-4,15H,(H3,12,13,14)
InChIKeyVAFORDMCUSTFMZ-UHFFFAOYSA-N
MW219.17 g/mol
LogP1.63
Rot. Bonds1

About 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine

1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine (PubChem CID 10955037) has the molecular formula C8H8F3N3O and a molecular weight of 219.17 g/mol. Its IUPAC name is 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine
PubChem CID10955037
Molecular FormulaC8H8F3N3O
Molecular Weight219.17 g/mol
Exact Mass219.06
IUPAC Name1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine
SMILESN/C(=N\c1ccc(C(F)(F)F)cc1)NO
InChIInChI=1S/C8H8F3N3O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14-15/h1-4,15H,(H3,12,13,14)
InChIKeyVAFORDMCUSTFMZ-UHFFFAOYSA-N
XLogP1.63
TPSA70.64 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.17
LogP ≤ 51.63
H-Bond Donors ≤ 53
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

o-Tolylbiguanide
CID 7155
S-Ethyl N-(4-(trifluoromethyl)phenyl)isothiourea
CID 3311
N-Hydroxy-N'-(4-butyl-2-methylphenyl)formamidine
CID 2727594
1-carbamimidamido-N-(4-methylphenyl)methanimidamide
CID 2730263
1-(4-Cyanophenyl)guanidine
CID 17747914
N-[4-(trifluoromethyl)phenyl]guanidine
CID 19841587
N-p-Tolyl-guanidine
CID 409364
4-(Trifluoromethyl)phenyl isocyanate
CID 73768
N-(3-methylphenyl)imidodicarbonimidic diamide
CID 29667
S-Ethyl N-[4-Triflurormethyl)phenyl]isothio Urea, Hydrochloride
CID 2733516
1-(p-Tolyl)guanidine hydrochloride
CID 3028500
N''-hydroxy-N-(4-isopropylphenyl)imidoformamide
CID 9815391

Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine?
The IUPAC name of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine (CID 10955037) is 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine.
What is the SMILES notation for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine?
The canonical SMILES for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine is N/C(=N\c1ccc(C(F)(F)F)cc1)NO.
What is the InChIKey of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine?
The InChIKey is VAFORDMCUSTFMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3N3O/c9-8(10,11)5-1-3-6(4-2-5)13-7(12)14-15/h1-4,15H,(H3,12,13,14).
What are the key properties of 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine?
1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine has a molecular weight of 219.17 g/mol, XLogP of 1.63, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[4-(trifluoromethyl)phenyl]guanidine is sourced from PubChem (CID 10955037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).