2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine

C9H10ClFN4 — CID 140813804

IUPAC2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyXQDFHRQPADSZAX-UHFFFAOYSA-N
MW228.66 g/mol
LogP1.48
Rot. Bonds2

About 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine

2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine (PubChem CID 140813804) has the molecular formula C9H10ClFN4 and a molecular weight of 228.66 g/mol. Its IUPAC name is 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
PubChem CID140813804
Molecular FormulaC9H10ClFN4
Molecular Weight228.66 g/mol
Exact Mass228.06
IUPAC Name2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine
SMILESCC(=NN=C(N)N)c1ccc(Cl)cc1F
InChIInChI=1S/C9H10ClFN4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15)
InChIKeyXQDFHRQPADSZAX-UHFFFAOYSA-N
XLogP1.48
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.66
LogP ≤ 51.48
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-[(Z)-1-(2,5-difluorophenyl)ethylideneamino]guanidine
CID 9058020
2-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]guanidine
CID 8825931
4-chloro-2-[N-[1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-C-methylcarbonimidoyl]phenol
CID 3406457
2-[(E)-1-[5-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-2,4-dihydroxyphenyl]ethylideneamino]guanidine;dihydrochloride
CID 172929445
1-(4-chloro-2-fluorophenyl)ethanone;ethane
CID 142194505
1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine
CID 137055378
2-[(Z)-1-(2,5-dimethylphenyl)ethylideneamino]guanidine
CID 9017468
2-[(E)-1-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-4-hydroxyphenyl]ethylideneamino]guanidine
CID 135527034
4-chloro-1-[(E)-1-(4-chlorophenyl)prop-1-en-2-yl]-2-fluorobenzene
CID 58006826
2-[(E)-1-[2-amino-3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261943
2-[(E)-1-[3,5-bis[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]ethylideneamino]guanidine;hydrochloride
CID 45261938

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine (CID 140813804) is 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine is CC(=NN=C(N)N)c1ccc(Cl)cc1F.
What is the InChIKey of 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine?
The InChIKey is XQDFHRQPADSZAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClFN4/c1-5(14-15-9(12)13)7-3-2-6(10)4-8(7)11/h2-4H,1H3,(H4,12,13,15).
What are the key properties of 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine?
2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine has a molecular weight of 228.66 g/mol, XLogP of 1.48, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-chloro-2-fluorophenyl)ethylideneamino]guanidine is sourced from PubChem (CID 140813804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).