2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide

C12H16F2IN3 — CID 119147957

IUPAC2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
SMILESCN(C)/C(N)=N/C1CC1c1c(F)cccc1F.I
InChIInChI=1S/C12H15F2N3.HI/c1-17(2)12(15)16-10-6-7(10)11-8(13)4-3-5-9(11)14;/h3-5,7,10H,6H2,1-2H3,(H2,15,16);1H
InChIKeyGGOOZGBHBZARCH-UHFFFAOYSA-N
MW367.18 g/mol
LogP2.32
Rot. Bonds2

About 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide

2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide (PubChem CID 119147957) has the molecular formula C12H16F2IN3 and a molecular weight of 367.18 g/mol. Its IUPAC name is 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide.

Molecular Properties

Compound Name2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
PubChem CID119147957
Molecular FormulaC12H16F2IN3
Molecular Weight367.18 g/mol
Exact Mass367.04
IUPAC Name2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide
SMILESCN(C)/C(N)=N/C1CC1c1c(F)cccc1F.I
InChIInChI=1S/C12H15F2N3.HI/c1-17(2)12(15)16-10-6-7(10)11-8(13)4-3-5-9(11)14;/h3-5,7,10H,6H2,1-2H3,(H2,15,16);1H
InChIKeyGGOOZGBHBZARCH-UHFFFAOYSA-N
XLogP2.32
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.18
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1,3,3-tetramethylguanidine
CID 111815364
1-tert-butyl-2-[2-(2,6-difluorophenyl)cyclopropyl]guanidine;hydroiodide
CID 111815381
1,1-dimethyl-2-[(1R,2S)-2-(3,4,5-trifluorophenyl)cyclopropyl]guanidine
CID 122082484
N'-[2-(2,6-difluorophenyl)cyclopropyl]piperidine-1-carboximidamide
CID 111815372
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine;hydroiodide
CID 111815307
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3-methylphenyl)guanidine
CID 111815308
1-cyclopropyl-2-[(1R,2S)-2-(2-fluorophenyl)cyclopropyl]-1-methylguanidine
CID 122098698
2-[2-(2-chloro-6-fluorophenyl)cyclopropyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111818759
2-[2-(2,6-difluorophenyl)cyclopropyl]-1-(3,4-dimethoxyphenyl)guanidine;hydroiodide
CID 111815333
tert-butyl 4-[N'-[2-(2,6-difluorophenyl)cyclopropyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111815337
1-[2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine;hydroiodide
CID 119147959
1-[(1R,2S)-2-(2,6-difluorophenyl)cyclopropyl]-2-methylguanidine
CID 122082415

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide?
The IUPAC name of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide (CID 119147957) is 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide.
What is the SMILES notation for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide?
The canonical SMILES for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide is CN(C)/C(N)=N/C1CC1c1c(F)cccc1F.I.
What is the InChIKey of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide?
The InChIKey is GGOOZGBHBZARCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15F2N3.HI/c1-17(2)12(15)16-10-6-7(10)11-8(13)4-3-5-9(11)14;/h3-5,7,10H,6H2,1-2H3,(H2,15,16);1H.
What are the key properties of 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide?
2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide has a molecular weight of 367.18 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,6-difluorophenyl)cyclopropyl]-1,1-dimethylguanidine;hydroiodide is sourced from PubChem (CID 119147957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).