N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide

C11H19F2N3O2 — CID 104871097

IUPACN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C11H19F2N3O2/c1-16(7-8(12)13)10(17)11(9(14)15-18)5-3-2-4-6-11/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyQZQHDDMECQZLQL-UHFFFAOYSA-N
MW263.29 g/mol
LogP1.41
Rot. Bonds4

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

N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide (PubChem CID 104871097) has the molecular formula C11H19F2N3O2 and a molecular weight of 263.29 g/mol. Its IUPAC name is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide.

Molecular Properties

Compound NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
PubChem CID104871097
Molecular FormulaC11H19F2N3O2
Molecular Weight263.29 g/mol
Exact Mass263.14
IUPAC NameN-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide
SMILESCN(CC(F)F)C(=O)C1(C(N)=NO)CCCCC1
InChIInChI=1S/C11H19F2N3O2/c1-16(7-8(12)13)10(17)11(9(14)15-18)5-3-2-4-6-11/h8,18H,2-7H2,1H3,(H2,14,15)
InChIKeyQZQHDDMECQZLQL-UHFFFAOYSA-N
XLogP1.41
TPSA78.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.29
LogP ≤ 51.41
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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Frequently Asked Questions

What is the IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide?
The IUPAC name of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide (CID 104871097) is N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide.
What is the SMILES notation for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide?
The canonical SMILES for N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide is CN(CC(F)F)C(=O)C1(C(N)=NO)CCCCC1.
What is the InChIKey of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide?
The InChIKey is QZQHDDMECQZLQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19F2N3O2/c1-16(7-8(12)13)10(17)11(9(14)15-18)5-3-2-4-6-11/h8,18H,2-7H2,1H3,(H2,14,15).
What are the key properties of N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide?
N-(2,2-difluoroethyl)-1-(N'-hydroxycarbamimidoyl)-N-methylcyclohexane-1-carboxamide has a molecular weight of 263.29 g/mol, XLogP of 1.41, 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-methylcyclohexane-1-carboxamide is sourced from PubChem (CID 104871097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).