1-(2,5-difluorophenyl)-2-methylguanidine

C8H9F2N3 — CID 62379981

IUPAC1-(2,5-difluorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(F)ccc1F
InChIInChI=1S/C8H9F2N3/c1-12-8(11)13-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H3,11,12,13)
InChIKeyMHDPKFLCVYPAPU-UHFFFAOYSA-N
MW185.18 g/mol
LogP1.32
Rot. Bonds1

About 1-(2,5-difluorophenyl)-2-methylguanidine

1-(2,5-difluorophenyl)-2-methylguanidine (PubChem CID 62379981) has the molecular formula C8H9F2N3 and a molecular weight of 185.18 g/mol. Its IUPAC name is 1-(2,5-difluorophenyl)-2-methylguanidine.

Molecular Properties

Compound Name1-(2,5-difluorophenyl)-2-methylguanidine
PubChem CID62379981
Molecular FormulaC8H9F2N3
Molecular Weight185.18 g/mol
Exact Mass185.08
IUPAC Name1-(2,5-difluorophenyl)-2-methylguanidine
SMILESC/N=C(\N)Nc1cc(F)ccc1F
InChIInChI=1S/C8H9F2N3/c1-12-8(11)13-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H3,11,12,13)
InChIKeyMHDPKFLCVYPAPU-UHFFFAOYSA-N
XLogP1.32
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.18
LogP ≤ 51.32
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

2-benzyl-1-(2,5-difluorophenyl)guanidine
CID 130567646
1-(2,5-difluorophenyl)-3-methylthiourea
CID 8668955
1-(2-chloro-5-fluorophenyl)-2-ethylguanidine
CID 107531361
2-[(1R,2S)-2-cyclobutylcyclopropyl]-1-(2,5-difluorophenyl)guanidine;hydroiodide
CID 122126084
1-[2-(2,5-difluorophenyl)ethyl]-2-methylguanidine;hydroiodide
CID 111573049
3-(2,5-difluorophenyl)-1,1-dimethylurea
CID 110459919
2-[2-(cyclopenten-1-yl)-2-methylpropyl]-1-(2,5-difluorophenyl)guanidine
CID 122098326
2-[(3-tert-butyl-1H-1,2,4-triazol-5-yl)methyl]-1-(2,5-difluorophenyl)guanidine
CID 122098759
1-(2,5-difluorophenyl)-2-[[(2R,5S)-5-(hydroxymethyl)oxolan-2-yl]methyl]guanidine
CID 122082845
1-(2,5-difluorophenyl)-2-[[1-(methylsulfonylmethyl)cyclobutyl]methyl]guanidine
CID 122099377
2-ethyl-1-(4-fluoro-2-methylphenyl)guanidine
CID 62381276
cis-(1S,2R)-N-(2,5-difluorophenyl)-2-methylcyclopropane-1-carboxamide
CID 841868

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-difluorophenyl)-2-methylguanidine?
The IUPAC name of 1-(2,5-difluorophenyl)-2-methylguanidine (CID 62379981) is 1-(2,5-difluorophenyl)-2-methylguanidine.
What is the SMILES notation for 1-(2,5-difluorophenyl)-2-methylguanidine?
The canonical SMILES for 1-(2,5-difluorophenyl)-2-methylguanidine is C/N=C(\N)Nc1cc(F)ccc1F.
What is the InChIKey of 1-(2,5-difluorophenyl)-2-methylguanidine?
The InChIKey is MHDPKFLCVYPAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9F2N3/c1-12-8(11)13-7-4-5(9)2-3-6(7)10/h2-4H,1H3,(H3,11,12,13).
What are the key properties of 1-(2,5-difluorophenyl)-2-methylguanidine?
1-(2,5-difluorophenyl)-2-methylguanidine has a molecular weight of 185.18 g/mol, XLogP of 1.32, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-difluorophenyl)-2-methylguanidine is sourced from PubChem (CID 62379981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).