1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine

C15H20F3N3O — CID 111714269

IUPAC1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
SMILESN/C(=N\Cc1c(F)cccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O/c16-12-7-4-8-13(22-14(17)18)11(12)9-20-15(19)21-10-5-2-1-3-6-10/h4,7-8,10,14H,1-3,5-6,9H2,(H3,19,20,21)
InChIKeyHNUIQWBAFNSMPG-UHFFFAOYSA-N
MW315.34 g/mol
LogP3.16
Rot. Bonds5

About 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine

1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine (PubChem CID 111714269) has the molecular formula C15H20F3N3O and a molecular weight of 315.34 g/mol. Its IUPAC name is 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine.

Molecular Properties

Compound Name1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
PubChem CID111714269
Molecular FormulaC15H20F3N3O
Molecular Weight315.34 g/mol
Exact Mass315.16
IUPAC Name1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine
SMILESN/C(=N\Cc1c(F)cccc1OC(F)F)NC1CCCCC1
InChIInChI=1S/C15H20F3N3O/c16-12-7-4-8-13(22-14(17)18)11(12)9-20-15(19)21-10-5-2-1-3-6-10/h4,7-8,10,14H,1-3,5-6,9H2,(H3,19,20,21)
InChIKeyHNUIQWBAFNSMPG-UHFFFAOYSA-N
XLogP3.16
TPSA59.64 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.34
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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

1-cyclohexyl-2-[[2-(difluoromethoxy)phenyl]methyl]guanidine;hydroiodide
CID 111039863
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-(3,4-dihydro-2H-chromen-4-yl)guanidine
CID 119151917
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine;hydroiodide
CID 111498125
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-propylguanidine;hydroiodide
CID 111757998
1-cyclopropyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-methylguanidine
CID 110031035
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-(3-methylphenyl)guanidine
CID 111758055
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-(2,3-dihydro-1H-inden-5-yl)guanidine;hydroiodide
CID 111758026
N'-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-3-methylpiperidine-1-carboximidamide
CID 111758049
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1-hexylguanidine;hydroiodide
CID 111758008
2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]-1,3-diethylguanidine;hydroiodide
CID 111498110
1-cyclopentyl-2-[[2-(2-fluorophenoxy)-4-pyridinyl]methyl]guanidine
CID 120603148
1-cyclohexyl-2-[(3,4-difluorophenyl)methyl]guanidine
CID 62369891

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine?
The IUPAC name of 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine (CID 111714269) is 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine.
What is the SMILES notation for 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine?
The canonical SMILES for 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine is N/C(=N\Cc1c(F)cccc1OC(F)F)NC1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine?
The InChIKey is HNUIQWBAFNSMPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F3N3O/c16-12-7-4-8-13(22-14(17)18)11(12)9-20-15(19)21-10-5-2-1-3-6-10/h4,7-8,10,14H,1-3,5-6,9H2,(H3,19,20,21).
What are the key properties of 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine?
1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine has a molecular weight of 315.34 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-[[2-(difluoromethoxy)-6-fluorophenyl]methyl]guanidine is sourced from PubChem (CID 111714269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).