2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine

C10H17F2N3 — CID 120662420

IUPAC2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC1(C(F)F)CC1
InChIInChI=1S/C10H17F2N3/c1-7(2)5-14-9(13)15-6-10(3-4-10)8(11)12/h8H,1,3-6H2,2H3,(H3,13,14,15)
InChIKeyVZVAIBKXZXCNCD-UHFFFAOYSA-N
MW217.26 g/mol
LogP1.51
Rot. Bonds5

About 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine

2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine (PubChem CID 120662420) has the molecular formula C10H17F2N3 and a molecular weight of 217.26 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
PubChem CID120662420
Molecular FormulaC10H17F2N3
Molecular Weight217.26 g/mol
Exact Mass217.14
IUPAC Name2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine
SMILESC=C(C)CN/C(N)=N/CC1(C(F)F)CC1
InChIInChI=1S/C10H17F2N3/c1-7(2)5-14-9(13)15-6-10(3-4-10)8(11)12/h8H,1,3-6H2,2H3,(H3,13,14,15)
InChIKeyVZVAIBKXZXCNCD-UHFFFAOYSA-N
XLogP1.51
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.26
LogP ≤ 51.51
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'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-(2-Methylprop-2-enyl)-1-(3,3,3-trifluoropropyl)guanidine
CID 111800816
2-(2-Methylprop-2-enyl)-1-(5,5,5-trifluoropentyl)guanidine
CID 112412214
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine;hydroiodide
CID 120973288
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine
CID 120973289
1-(2-Methylprop-2-enyl)-2-[[1-(trifluoromethyl)cyclobutyl]methyl]guanidine
CID 120973501
1-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine
CID 121767231
2-[[1-(Difluoromethyl)cyclopropyl]methyl]-1-prop-2-enylguanidine
CID 121829938
1-Prop-2-enyl-2-[[1-(trifluoromethyl)cyclopropyl]methyl]guanidine
CID 121830499
2-[[1-(Difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 120662419
1-[(1S,2S)-2-(difluoromethyl)cyclopropyl]-2-(2-methylprop-2-enyl)guanidine;hydroiodide
CID 121767230

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine?
The IUPAC name of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine (CID 120662420) is 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine.
What is the SMILES notation for 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine?
The canonical SMILES for 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine is C=C(C)CN/C(N)=N/CC1(C(F)F)CC1.
What is the InChIKey of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine?
The InChIKey is VZVAIBKXZXCNCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3/c1-7(2)5-14-9(13)15-6-10(3-4-10)8(11)12/h8H,1,3-6H2,2H3,(H3,13,14,15).
What are the key properties of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine?
2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine has a molecular weight of 217.26 g/mol, XLogP of 1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine is sourced from PubChem (CID 120662420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).