N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide

C10H17F2N3O2 — CID 104871098

IUPACN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)CC(F)F)(C(N)=NO)C1
InChIInChI=1S/C10H17F2N3O2/c1-6-3-10(4-6,8(13)14-17)9(16)15(2)5-7(11)12/h6-7,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyCFQYNGJIDHQVGY-UHFFFAOYSA-N
MW249.26 g/mol
LogP0.87
Rot. Bonds4

About N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide

N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide (PubChem CID 104871098) has the molecular formula C10H17F2N3O2 and a molecular weight of 249.26 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
PubChem CID104871098
Molecular FormulaC10H17F2N3O2
Molecular Weight249.26 g/mol
Exact Mass249.13
IUPAC NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide
SMILESCC1CC(C(=O)N(C)CC(F)F)(C(N)=NO)C1
InChIInChI=1S/C10H17F2N3O2/c1-6-3-10(4-6,8(13)14-17)9(16)15(2)5-7(11)12/h6-7,17H,3-5H2,1-2H3,(H2,13,14)
InChIKeyCFQYNGJIDHQVGY-UHFFFAOYSA-N
XLogP0.87
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.26
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcycloheptane-1-carboxamide
CID 104871085
N-(cyclopropylmethyl)-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-propan-2-ylcyclobutane-1-carboxamide
CID 80596878
1-(N'-hydroxycarbamimidoyl)-N-(1-hydroxypropan-2-yl)-N,3-dimethylcyclobutane-1-carboxamide
CID 113426194
N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methyl-N-(2-methylpropyl)cyclobutane-1-carboxamide
CID 80597437
N-butan-2-yl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80597583
1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-[(2-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80592201
1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethyl-N-[(3-methylphenyl)methyl]cyclobutane-1-carboxamide
CID 80592200
N-cyclohexyl-N-ethyl-1-(N'-hydroxycarbamimidoyl)-3-methylcyclobutane-1-carboxamide
CID 80591352
1-(N'-hydroxycarbamimidoyl)-N,3-dimethyl-N-(1-methylpiperidin-4-yl)cyclobutane-1-carboxamide
CID 80590609
N-(4-ethylphenyl)-1-[(Z)-N'-hydroxycarbamimidoyl]-N,3-dimethylcyclobutane-1-carboxamide
CID 80598056
N-cyclopentyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80596877
N-cyclohexyl-1-(N'-hydroxycarbamimidoyl)-N-(2-hydroxyethyl)-3-methylcyclobutane-1-carboxamide
CID 80599261

Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide (CID 104871098) is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide is CC1CC(C(=O)N(C)CC(F)F)(C(N)=NO)C1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide?
The InChIKey is CFQYNGJIDHQVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17F2N3O2/c1-6-3-10(4-6,8(13)14-17)9(16)15(2)5-7(11)12/h6-7,17H,3-5H2,1-2H3,(H2,13,14).
What are the key properties of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide?
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide has a molecular weight of 249.26 g/mol, XLogP of 0.87, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N,3-dimethylcyclobutane-1-carboxamide is sourced from PubChem (CID 104871098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).