1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine

C14H13F2N5 — CID 168602848

IUPAC1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N5/c15-10-6-5-8(7-11(10)16)9-3-1-2-4-12(9)20-14(19)21-13(17)18/h1-7H,(H6,17,18,19,20,21)
InChIKeyBGICRCIVDQCHGT-UHFFFAOYSA-N
MW289.29 g/mol
LogP1.85
Rot. Bonds2

About 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine

1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine (PubChem CID 168602848) has the molecular formula C14H13F2N5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine
PubChem CID168602848
Molecular FormulaC14H13F2N5
Molecular Weight289.29 g/mol
Exact Mass289.11
IUPAC Name1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccccc1-c1ccc(F)c(F)c1
InChIInChI=1S/C14H13F2N5/c15-10-6-5-8(7-11(10)16)9-3-1-2-4-12(9)20-14(19)21-13(17)18/h1-7H,(H6,17,18,19,20,21)
InChIKeyBGICRCIVDQCHGT-UHFFFAOYSA-N
XLogP1.85
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-(2,4,5-trifluorophenyl)guanidine
CID 168600515
1-(diaminomethylidene)-2-(2,3,4-trifluorophenyl)guanidine
CID 23086866
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
CID 146317046
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
CID 168606063
1-(diaminomethylidene)-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]guanidine
CID 168601956
2-(3-bromo-4-fluoro-2-methylphenyl)-1-(diaminomethylidene)guanidine
CID 168605355
1-(diaminomethylidene)-2-[5-(dimethoxymethyl)-2-fluorophenyl]guanidine
CID 168605851
2-[[amino-(diaminomethylideneamino)methylidene]amino]-5-chlorobenzoic acid
CID 168605986
1,2-difluoro-4-(2-isocyanophenyl)benzene
CID 176914767
1,2-difluoro-4-[2-(trifluoromethyl)phenyl]benzene
CID 91807915
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
CID 168601501

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine (CID 168602848) is 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccccc1-c1ccc(F)c(F)c1.
What is the InChIKey of 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine?
The InChIKey is BGICRCIVDQCHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5/c15-10-6-5-8(7-11(10)16)9-3-1-2-4-12(9)20-14(19)21-13(17)18/h1-7H,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine?
1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine has a molecular weight of 289.29 g/mol, XLogP of 1.85, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[2-(3,4-difluorophenyl)phenyl]guanidine is sourced from PubChem (CID 168602848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).