acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine

C11H15FN4O2 — CID 146217414

IUPACacetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
SMILESCC(=O)O.Cc1cccc(F)c1C=NN=C(N)N
InChIInChI=1S/C9H11FN4.C2H4O2/c1-6-3-2-4-8(10)7(6)5-13-14-9(11)12;1-2(3)4/h2-5H,1H3,(H4,11,12,14);1H3,(H,3,4)
InChIKeyOOYVMMMIPFDRGA-UHFFFAOYSA-N
MW254.27 g/mol
LogP0.83
Rot. Bonds2

About acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine

acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine (PubChem CID 146217414) has the molecular formula C11H15FN4O2 and a molecular weight of 254.27 g/mol. Its IUPAC name is acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Nameacetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
PubChem CID146217414
Molecular FormulaC11H15FN4O2
Molecular Weight254.27 g/mol
Exact Mass254.12
IUPAC Nameacetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
SMILESCC(=O)O.Cc1cccc(F)c1C=NN=C(N)N
InChIInChI=1S/C9H11FN4.C2H4O2/c1-6-3-2-4-8(10)7(6)5-13-14-9(11)12;1-2(3)4/h2-5H,1H3,(H4,11,12,14);1H3,(H,3,4)
InChIKeyOOYVMMMIPFDRGA-UHFFFAOYSA-N
XLogP0.83
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.27
LogP ≤ 50.83
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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Related Compounds

2-[(2,6-dimethylphenyl)methylideneamino]guanidine
CID 72725816
acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
CID 146217275
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
CID 66841721
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
2-[(E)-(2-fluoro-6-methylphenyl)methylideneamino]-1-propoxyguanidine
CID 172981677
acetic acid;1-fluoro-2-methylbenzene;guanidine
CID 174681985
2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
CID 168591129
2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-1,3-thiazolidin-4-one
CID 168574490
(2,6-difluorophenyl)methylideneurea
CID 152634177
2-[2-[(2-fluoro-6-methylphenyl)methylidenehydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl]acetic acid
CID 168620018
[3-chloro-2-[(E)-(diaminomethylidenehydrazinylidene)methyl]phenyl] acetate
CID 146217397
2-[(E)-(4-fluoro-3-methylphenyl)methylideneamino]guanidine;hydrochloride
CID 87880621

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine?
The IUPAC name of acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine (CID 146217414) is acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine.
What is the SMILES notation for acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine?
The canonical SMILES for acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine is CC(=O)O.Cc1cccc(F)c1C=NN=C(N)N.
What is the InChIKey of acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine?
The InChIKey is OOYVMMMIPFDRGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4.C2H4O2/c1-6-3-2-4-8(10)7(6)5-13-14-9(11)12;1-2(3)4/h2-5H,1H3,(H4,11,12,14);1H3,(H,3,4).
What are the key properties of acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine?
acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine has a molecular weight of 254.27 g/mol, XLogP of 0.83, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 146217414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).