N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide

C10H19F3N2O2 — CID 77102472

IUPACN'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
SMILESCC(OCCCC(C)(C)C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(10(11,12)13)17-6-4-5-9(2,3)8(14)15-16/h7,16H,4-6H2,1-3H3,(H2,14,15)
InChIKeyFKAIDRHKITUQRK-UHFFFAOYSA-N
MW256.27 g/mol
LogP2.51
Rot. Bonds6

About N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide

N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide (PubChem CID 77102472) has the molecular formula C10H19F3N2O2 and a molecular weight of 256.27 g/mol. Its IUPAC name is N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide.

Molecular Properties

Compound NameN'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
PubChem CID77102472
Molecular FormulaC10H19F3N2O2
Molecular Weight256.27 g/mol
Exact Mass256.14
IUPAC NameN'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide
SMILESCC(OCCCC(C)(C)C(N)=NO)C(F)(F)F
InChIInChI=1S/C10H19F3N2O2/c1-7(10(11,12)13)17-6-4-5-9(2,3)8(14)15-16/h7,16H,4-6H2,1-3H3,(H2,14,15)
InChIKeyFKAIDRHKITUQRK-UHFFFAOYSA-N
XLogP2.51
TPSA67.84 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.27
LogP ≤ 52.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The IUPAC name of N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide (CID 77102472) is N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide.
What is the SMILES notation for N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The canonical SMILES for N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide is CC(OCCCC(C)(C)C(N)=NO)C(F)(F)F.
What is the InChIKey of N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
The InChIKey is FKAIDRHKITUQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19F3N2O2/c1-7(10(11,12)13)17-6-4-5-9(2,3)8(14)15-16/h7,16H,4-6H2,1-3H3,(H2,14,15).
What are the key properties of N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide?
N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide has a molecular weight of 256.27 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-hydroxy-2,2-dimethyl-5-(1,1,1-trifluoropropan-2-yloxy)pentanimidamide is sourced from PubChem (CID 77102472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).