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

C10H18F2IN3 — CID 120662419

IUPAC2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC1(C(F)F)CC1.I
InChIInChI=1S/C10H17F2N3.HI/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);1H
InChIKeyYBBFOCCOMOYDIZ-UHFFFAOYSA-N
MW345.18 g/mol
LogP2.13
Rot. Bonds5

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

2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide (PubChem CID 120662419) has the molecular formula C10H18F2IN3 and a molecular weight of 345.18 g/mol. Its IUPAC name is 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide.

Molecular Properties

Compound Name2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
PubChem CID120662419
Molecular FormulaC10H18F2IN3
Molecular Weight345.18 g/mol
Exact Mass345.05
IUPAC Name2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide
SMILESC=C(C)CN/C(N)=N/CC1(C(F)F)CC1.I
InChIInChI=1S/C10H17F2N3.HI/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);1H
InChIKeyYBBFOCCOMOYDIZ-UHFFFAOYSA-N
XLogP2.13
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.18
LogP ≤ 52.13
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': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The IUPAC name of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide (CID 120662419) is 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide.
What is the SMILES notation for 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The canonical SMILES for 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide is C=C(C)CN/C(N)=N/CC1(C(F)F)CC1.I.
What is the InChIKey of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
The InChIKey is YBBFOCCOMOYDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3.HI/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);1H.
What are the key properties of 2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide?
2-[[1-(difluoromethyl)cyclopropyl]methyl]-1-(2-methylprop-2-enyl)guanidine;hydroiodide has a molecular weight of 345.18 g/mol, XLogP of 2.13, 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;hydroiodide is sourced from PubChem (CID 120662419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).