2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine

C9H10F2N4 — CID 9058020

IUPAC2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(F)ccc1F
InChIInChI=1S/C9H10F2N4/c1-5(14-15-9(12)13)7-4-6(10)2-3-8(7)11/h2-4H,1H3,(H4,12,13,15)/b14-5-
InChIKeyYOOCUCSROGZNIJ-RZNTYIFUSA-N
MW212.20 g/mol
LogP0.96
Rot. Bonds2

About 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine

2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine (PubChem CID 9058020) has the molecular formula C9H10F2N4 and a molecular weight of 212.20 g/mol. Its IUPAC name is 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
PubChem CID9058020
Molecular FormulaC9H10F2N4
Molecular Weight212.20 g/mol
Exact Mass212.09
IUPAC Name2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1cc(F)ccc1F
InChIInChI=1S/C9H10F2N4/c1-5(14-15-9(12)13)7-4-6(10)2-3-8(7)11/h2-4H,1H3,(H4,12,13,15)/b14-5-
InChIKeyYOOCUCSROGZNIJ-RZNTYIFUSA-N
XLogP0.96
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.20
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-[1-(2,4-difluorophenyl)ethylideneamino]guanidine
CID 78607456
2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
CID 140813804
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
N-(diaminomethylidene)-2,5-difluorobenzamide
CID 84551330
1-(2,5-difluorophenyl)ethanethione
CID 143795171
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]-4,6-dimethylpyrimidin-2-amine
CID 9013664
2-[(E)-1-[2-amino-3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261943
tert-butyl N-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]carbamate
CID 9074784
2-[(Z)-1-(3-fluorophenyl)propan-2-ylideneamino]guanidine
CID 115694674
(1Z)-2,5-difluoro-N-methoxybenzenecarboximidoyl bromide
CID 87179293
4-fluoro-2-(N-hydroxy-C-methylcarbonimidoyl)phenol
CID 137191057

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine (CID 9058020) is 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1cc(F)ccc1F.
What is the InChIKey of 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine?
The InChIKey is YOOCUCSROGZNIJ-RZNTYIFUSA-N. The full InChI is InChI=1S/C9H10F2N4/c1-5(14-15-9(12)13)7-4-6(10)2-3-8(7)11/h2-4H,1H3,(H4,12,13,15)/b14-5-.
What are the key properties of 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine?
2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine has a molecular weight of 212.20 g/mol, XLogP of 0.96, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine is sourced from PubChem (CID 9058020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).