1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine

C10H10F6N4O — CID 10403451

IUPAC1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine
SMILESCN(/N=C(\N)NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F6N4O/c1-20(18-8(17)19-21)7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,21H,1H3,(H3,17,18,19)
InChIKeyFLNUUQJBVHQHOZ-UHFFFAOYSA-N
MW316.21 g/mol
LogP2.37
Rot. Bonds2

About 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine

1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine (PubChem CID 10403451) has the molecular formula C10H10F6N4O and a molecular weight of 316.21 g/mol. Its IUPAC name is 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine.

Molecular Properties

Compound Name1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine
PubChem CID10403451
Molecular FormulaC10H10F6N4O
Molecular Weight316.21 g/mol
Exact Mass316.08
IUPAC Name1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine
SMILESCN(/N=C(\N)NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1
InChIInChI=1S/C10H10F6N4O/c1-20(18-8(17)19-21)7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,21H,1H3,(H3,17,18,19)
InChIKeyFLNUUQJBVHQHOZ-UHFFFAOYSA-N
XLogP2.37
TPSA73.88 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.21
LogP ≤ 52.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine?
The IUPAC name of 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine (CID 10403451) is 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine.
What is the SMILES notation for 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine?
The canonical SMILES for 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine is CN(/N=C(\N)NO)c1cc(C(F)(F)F)cc(C(F)(F)F)c1.
What is the InChIKey of 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine?
The InChIKey is FLNUUQJBVHQHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F6N4O/c1-20(18-8(17)19-21)7-3-5(9(11,12)13)2-6(4-7)10(14,15)16/h2-4,21H,1H3,(H3,17,18,19).
What are the key properties of 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine?
1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine has a molecular weight of 316.21 g/mol, XLogP of 2.37, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-2-[N-methyl-3,5-bis(trifluoromethyl)anilino]guanidine is sourced from PubChem (CID 10403451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).