2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine

C10H10F4N4O — CID 168591331

IUPAC2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESCOc1cc(F)c(C(F)(F)F)cc1C=NN=C(N)N
InChIInChI=1S/C10H10F4N4O/c1-19-8-3-7(11)6(10(12,13)14)2-5(8)4-17-18-9(15)16/h2-4H,1H3,(H4,15,16,18)
InChIKeyDYETZJQEQCRBPP-UHFFFAOYSA-N
MW278.21 g/mol
LogP1.46
Rot. Bonds3

About 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine

2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine (PubChem CID 168591331) has the molecular formula C10H10F4N4O and a molecular weight of 278.21 g/mol. Its IUPAC name is 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine
PubChem CID168591331
Molecular FormulaC10H10F4N4O
Molecular Weight278.21 g/mol
Exact Mass278.08
IUPAC Name2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine
SMILESCOc1cc(F)c(C(F)(F)F)cc1C=NN=C(N)N
InChIInChI=1S/C10H10F4N4O/c1-19-8-3-7(11)6(10(12,13)14)2-5(8)4-17-18-9(15)16/h2-4H,1H3,(H4,15,16,18)
InChIKeyDYETZJQEQCRBPP-UHFFFAOYSA-N
XLogP1.46
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.21
LogP ≤ 51.46
H-Bond Donors ≤ 52
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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Related Compounds

2-[(E)-[4-methoxy-3-(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 87880684
2-[(2,5-dimethoxy-4-methylsulfanylphenyl)methylideneamino]guanidine
CID 168592679
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[[2,4-bis(trifluoromethyl)phenyl]methylideneamino]guanidine
CID 86598831
2-[(2-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 168590530
2-[(2-bromo-3,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 91364850
2-[(Z)-(5-bromo-2,3-dimethoxyphenyl)methylideneamino]guanidine
CID 110538562
2-[(2-bromo-5-hydroxy-4-methoxyphenyl)methylideneamino]guanidine
CID 168590552
2-[(2-methoxy-5-nitrophenyl)methylideneamino]guanidine
CID 70180753
1-hydroxy-2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 5494118
4-methylbenzenesulfonic acid;2-[(2,4,5-trimethoxyphenyl)methylideneamino]guanidine
CID 158713821

Frequently Asked Questions

What is the IUPAC name of 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine (CID 168591331) is 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine is COc1cc(F)c(C(F)(F)F)cc1C=NN=C(N)N.
What is the InChIKey of 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine?
The InChIKey is DYETZJQEQCRBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10F4N4O/c1-19-8-3-7(11)6(10(12,13)14)2-5(8)4-17-18-9(15)16/h2-4H,1H3,(H4,15,16,18).
What are the key properties of 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine?
2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine has a molecular weight of 278.21 g/mol, XLogP of 1.46, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-fluoro-2-methoxy-5-(trifluoromethyl)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168591331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).