2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine

C10H12F2N4O — CID 168590943

IUPAC2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)cc(F)c1F
InChIInChI=1S/C10H12F2N4O/c1-2-17-8-4-6(3-7(11)9(8)12)5-15-16-10(13)14/h3-5H,2H2,1H3,(H4,13,14,16)
InChIKeyXAKJBALIHXZADM-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.97
Rot. Bonds4

About 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine

2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine (PubChem CID 168590943) has the molecular formula C10H12F2N4O and a molecular weight of 242.23 g/mol. Its IUPAC name is 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine
PubChem CID168590943
Molecular FormulaC10H12F2N4O
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine
SMILESCCOc1cc(C=NN=C(N)N)cc(F)c1F
InChIInChI=1S/C10H12F2N4O/c1-2-17-8-4-6(3-7(11)9(8)12)5-15-16-10(13)14/h3-5H,2H2,1H3,(H4,13,14,16)
InChIKeyXAKJBALIHXZADM-UHFFFAOYSA-N
XLogP0.97
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.97
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-[(3-ethoxy-4-methoxyphenyl)methylideneamino]guanidine
CID 2716681
2-[(Z)-(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 112538748
2-[(4-butoxy-3-ethoxyphenyl)methylideneamino]guanidine
CID 168590622
2-[[3-bromo-4-(cyanomethoxy)-5-ethoxyphenyl]methylideneamino]guanidine
CID 168592088
2-[(4-fluoro-3-methoxyphenyl)methylideneamino]guanidine
CID 168592573
2-[4-[(diaminomethylidenehydrazinylidene)methyl]-2-ethoxyphenoxy]propanoic acid
CID 168592580
2-[(3-ethoxyphenyl)methylideneamino]guanidine
CID 76880079
2-[(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]guanidine
CID 2387812
2-[[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]guanidine
CID 168592322
(3,4-difluoro-5-pentoxyphenyl)methylidenehydrazine
CID 168529285
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
[2-bromo-4-[(diaminomethylidenehydrazinylidene)methyl]-6-ethoxyphenyl] benzoate
CID 168592087

Frequently Asked Questions

What is the IUPAC name of 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine (CID 168590943) is 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine is CCOc1cc(C=NN=C(N)N)cc(F)c1F.
What is the InChIKey of 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine?
The InChIKey is XAKJBALIHXZADM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12F2N4O/c1-2-17-8-4-6(3-7(11)9(8)12)5-15-16-10(13)14/h3-5H,2H2,1H3,(H4,13,14,16).
What are the key properties of 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine?
2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine has a molecular weight of 242.23 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-ethoxy-4,5-difluorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 168590943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).