2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine

C8H8F2N4O — CID 168591129

IUPAC2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(F)ccc(O)c1F
InChIInChI=1S/C8H8F2N4O/c9-5-1-2-6(15)7(10)4(5)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyCOHSEKALWFWUBL-UHFFFAOYSA-N
MW214.18 g/mol
LogP0.28
Rot. Bonds2

About 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine

2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine (PubChem CID 168591129) has the molecular formula C8H8F2N4O and a molecular weight of 214.18 g/mol. Its IUPAC name is 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
PubChem CID168591129
Molecular FormulaC8H8F2N4O
Molecular Weight214.18 g/mol
Exact Mass214.07
IUPAC Name2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1c(F)ccc(O)c1F
InChIInChI=1S/C8H8F2N4O/c9-5-1-2-6(15)7(10)4(5)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14)
InChIKeyCOHSEKALWFWUBL-UHFFFAOYSA-N
XLogP0.28
TPSA96.99 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.18
LogP ≤ 50.28
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

2,4-difluoro-3-methanehydrazonoylphenol
CID 168531641
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]thiourea
CID 168536553
2-[(4-bromo-2,3,6-trifluorophenyl)methylideneamino]guanidine
CID 168592496
2-[(5-fluoro-1-benzofuran-4-yl)methylideneamino]guanidine
CID 168591815
2-[(5-fluoro-2-hydroxyphenyl)methylideneamino]guanidine
CID 168592804
[2-[(diaminomethylidenehydrazinylidene)methyl]-3-fluorophenyl]boronic acid
CID 168592502
2-[(2-bromo-3-chloro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591195
2-[(2-bromo-4-fluoro-6-hydroxyphenyl)methylideneamino]guanidine
CID 168591166
acetic acid;2-[(2-fluoro-6-methylphenyl)methylideneamino]guanidine
CID 146217414
2-[(2,3,4-trifluoro-6-methoxyphenyl)methylideneamino]guanidine
CID 168591151
2-[(3-bromo-4-fluorophenyl)methylideneamino]guanidine
CID 66841829

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine (CID 168591129) is 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1c(F)ccc(O)c1F.
What is the InChIKey of 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine?
The InChIKey is COHSEKALWFWUBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F2N4O/c9-5-1-2-6(15)7(10)4(5)3-13-14-8(11)12/h1-3,15H,(H4,11,12,14).
What are the key properties of 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine?
2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine has a molecular weight of 214.18 g/mol, XLogP of 0.28, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-difluoro-3-hydroxyphenyl)methylideneamino]guanidine is sourced from PubChem (CID 168591129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).