2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine

C10H13F2N3 — CID 111757688

IUPAC2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(F)F)cc1
InChIInChI=1S/C10H13F2N3/c1-7-2-4-8(5-3-7)15-10(13)14-6-9(11)12/h2-5,9H,6H2,1H3,(H3,13,14,15)
InChIKeyZGILDKDIGDZPAZ-UHFFFAOYSA-N
MW213.23 g/mol
LogP1.99
Rot. Bonds3

About 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine

2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine (PubChem CID 111757688) has the molecular formula C10H13F2N3 and a molecular weight of 213.23 g/mol. Its IUPAC name is 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine.

Molecular Properties

Compound Name2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
PubChem CID111757688
Molecular FormulaC10H13F2N3
Molecular Weight213.23 g/mol
Exact Mass213.11
IUPAC Name2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine
SMILESCc1ccc(N/C(N)=N/CC(F)F)cc1
InChIInChI=1S/C10H13F2N3/c1-7-2-4-8(5-3-7)15-10(13)14-6-9(11)12/h2-5,9H,6H2,1H3,(H3,13,14,15)
InChIKeyZGILDKDIGDZPAZ-UHFFFAOYSA-N
XLogP1.99
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.23
LogP ≤ 51.99
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-(2,2-difluoroethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111757705
2-(2,2-difluoroethyl)-1-(3,4-dimethoxyphenyl)guanidine
CID 111757672
2-[2-(4-fluorophenoxy)propyl]-1-(4-methylphenyl)guanidine
CID 111820308
2-[2-hydroxy-2-(4-methylphenyl)ethyl]-1-(4-methoxyphenyl)guanidine
CID 111067384
2-(2-methoxy-2-phenylethyl)-1-(4-methylphenyl)guanidine;hydroiodide
CID 111043587
1-(4-methylphenyl)-2-(3-methyl-2-pyrrolidin-1-ylbutyl)guanidine
CID 111042523
2-[2-(dimethylamino)-3-phenylpropyl]-1-(4-methylphenyl)guanidine
CID 111029250
1-(4-methylphenyl)-2-(2-thiophen-3-ylpropyl)guanidine;hydroiodide
CID 111758160
2-[2-[cyclopropyl(methyl)amino]propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111099075
2-[2-(4-ethylphenyl)ethyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111802723
2-[2-(2-methoxyphenyl)propyl]-1-(4-methylphenyl)guanidine;hydroiodide
CID 111097644
1-[4-(difluoromethylsulfanyl)phenyl]-2-(2-methylpropyl)guanidine
CID 55068551

Frequently Asked Questions

What is the IUPAC name of 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine?
The IUPAC name of 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine (CID 111757688) is 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine.
What is the SMILES notation for 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine?
The canonical SMILES for 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine is Cc1ccc(N/C(N)=N/CC(F)F)cc1.
What is the InChIKey of 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine?
The InChIKey is ZGILDKDIGDZPAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13F2N3/c1-7-2-4-8(5-3-7)15-10(13)14-6-9(11)12/h2-5,9H,6H2,1H3,(H3,13,14,15).
What are the key properties of 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine?
2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine has a molecular weight of 213.23 g/mol, XLogP of 1.99, 3 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-difluoroethyl)-1-(4-methylphenyl)guanidine is sourced from PubChem (CID 111757688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).