2-benzyl-1-(2,5-difluorophenyl)guanidine

C14H13F2N3 — CID 130567646

IUPAC2-benzyl-1-(2,5-difluorophenyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H13F2N3/c15-11-6-7-12(16)13(8-11)19-14(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,17,18,19)
InChIKeyKYMFBUYXFSQUQU-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.89
Rot. Bonds3

About 2-benzyl-1-(2,5-difluorophenyl)guanidine

2-benzyl-1-(2,5-difluorophenyl)guanidine (PubChem CID 130567646) has the molecular formula C14H13F2N3 and a molecular weight of 261.28 g/mol. Its IUPAC name is 2-benzyl-1-(2,5-difluorophenyl)guanidine.

Molecular Properties

Compound Name2-benzyl-1-(2,5-difluorophenyl)guanidine
PubChem CID130567646
Molecular FormulaC14H13F2N3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Name2-benzyl-1-(2,5-difluorophenyl)guanidine
SMILESN/C(=N\Cc1ccccc1)Nc1cc(F)ccc1F
InChIInChI=1S/C14H13F2N3/c15-11-6-7-12(16)13(8-11)19-14(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,17,18,19)
InChIKeyKYMFBUYXFSQUQU-UHFFFAOYSA-N
XLogP2.89
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.89
H-Bond Donors ≤ 52
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-(2,5-difluorophenyl)-2-methylguanidine
CID 62379981
2-benzyl-1-phenylguanidine
CID 12910062
2-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-(2,5-difluorophenyl)guanidine
CID 122098759
2-benzyl-1-[2-(dimethylamino)phenyl]guanidine
CID 130568032
1-benzyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 51131588
1-(2,5-difluorophenyl)-2-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]guanidine
CID 122082845
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
1-(2,5-difluorophenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099377
2-[(3-fluoro-4-hydroxyphenyl)methyl]-1-phenylguanidine;hydroiodide
CID 111439321
1-(2,5-difluorophenyl)-2-[(3-methoxyoxan-4-yl)methyl]guanidine
CID 122097384
1-(5-bromo-2-fluorophenyl)-2-ethylguanidine
CID 62381111
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-1-(2,5-difluorophenyl)guanidine?
The IUPAC name of 2-benzyl-1-(2,5-difluorophenyl)guanidine (CID 130567646) is 2-benzyl-1-(2,5-difluorophenyl)guanidine.
What is the SMILES notation for 2-benzyl-1-(2,5-difluorophenyl)guanidine?
The canonical SMILES for 2-benzyl-1-(2,5-difluorophenyl)guanidine is N/C(=N\Cc1ccccc1)Nc1cc(F)ccc1F.
What is the InChIKey of 2-benzyl-1-(2,5-difluorophenyl)guanidine?
The InChIKey is KYMFBUYXFSQUQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N3/c15-11-6-7-12(16)13(8-11)19-14(17)18-9-10-4-2-1-3-5-10/h1-8H,9H2,(H3,17,18,19).
What are the key properties of 2-benzyl-1-(2,5-difluorophenyl)guanidine?
2-benzyl-1-(2,5-difluorophenyl)guanidine has a molecular weight of 261.28 g/mol, XLogP of 2.89, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-1-(2,5-difluorophenyl)guanidine is sourced from PubChem (CID 130567646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).