acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine

C10H12F2N4O2 — CID 66841721

IUPACacetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
SMILESCC(=O)O.NC(N)=NN=Cc1cccc(F)c1F
InChIInChI=1S/C8H8F2N4.C2H4O2/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)
InChIKeyHXTUKJJBEGTJPF-UHFFFAOYSA-N
MW258.23 g/mol
LogP0.66
Rot. Bonds2

About acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine

acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine (PubChem CID 66841721) has the molecular formula C10H12F2N4O2 and a molecular weight of 258.23 g/mol. Its IUPAC name is acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine.

Molecular Properties

Compound Nameacetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
PubChem CID66841721
Molecular FormulaC10H12F2N4O2
Molecular Weight258.23 g/mol
Exact Mass258.09
IUPAC Nameacetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine
SMILESCC(=O)O.NC(N)=NN=Cc1cccc(F)c1F
InChIInChI=1S/C8H8F2N4.C2H4O2/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4)
InChIKeyHXTUKJJBEGTJPF-UHFFFAOYSA-N
XLogP0.66
TPSA114.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.23
LogP ≤ 50.66
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

acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
CID 146217414
acetic acid;2-[(2-fluoro-6-nitrophenyl)methylideneamino]guanidine
CID 146217275
2-[(E)-(2-chloro-3,5-difluorophenyl)methylideneamino]guanidine;2-[(E)-(3-chloro-2-fluorophenyl)methylideneamino]guanidine;ethane
CID 145167086
[(E)-(2,3-difluorophenyl)methylideneamino]urea
CID 10012988
2-[(E)-(2,3-difluorophenyl)methylideneamino]-1-hydroxyguanidine;4-methylbenzenesulfonic acid
CID 173024020
4-[2-[(diaminomethylidenehydrazinylidene)methyl]phenyl]-2-fluorobenzoic acid
CID 168592803
2-[(diaminomethylidenehydrazinylidene)methyl]-N,N-dimethylbenzamide
CID 168591849
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
3-[(2,3-difluorophenyl)methylideneamino]benzamide
CID 175437283
2-[(3,5-difluoro-2-methylphenyl)methylideneamino]guanidine
CID 168592471
methyl N'-[(Z)-(2-fluorophenyl)methylideneamino]carbamimidothioate
CID 6850944
2-[(3-chloro-2-methylsulfanylphenyl)methylideneamino]guanidine
CID 68790902

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine?
The IUPAC name of acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine (CID 66841721) is acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine.
What is the SMILES notation for acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine?
The canonical SMILES for acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine is CC(=O)O.NC(N)=NN=Cc1cccc(F)c1F.
What is the InChIKey of acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine?
The InChIKey is HXTUKJJBEGTJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4.C2H4O2/c9-6-3-1-2-5(7(6)10)4-13-14-8(11)12;1-2(3)4/h1-4H,(H4,11,12,14);1H3,(H,3,4).
What are the key properties of acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine?
acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine has a molecular weight of 258.23 g/mol, XLogP of 0.66, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-[(2,3-difluorophenyl)methylideneamino]guanidine is sourced from PubChem (CID 66841721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).