N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide

C15H24F3NO3 — CID 140638326

IUPACN-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide
SMILESO=C(CC1CCC(OCC2CC(F)C(F)CC2F)CC1)NO
InChIInChI=1S/C15H24F3NO3/c16-12-7-14(18)13(17)6-10(12)8-22-11-3-1-9(2-4-11)5-15(20)19-21/h9-14,21H,1-8H2,(H,19,20)
InChIKeyLQNIIRVDIMPPHE-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.88
Rot. Bonds5

About N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide

N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide (PubChem CID 140638326) has the molecular formula C15H24F3NO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide.

Molecular Properties

Compound NameN-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide
PubChem CID140638326
Molecular FormulaC15H24F3NO3
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC NameN-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide
SMILESO=C(CC1CCC(OCC2CC(F)C(F)CC2F)CC1)NO
InChIInChI=1S/C15H24F3NO3/c16-12-7-14(18)13(17)6-10(12)8-22-11-3-1-9(2-4-11)5-15(20)19-21/h9-14,21H,1-8H2,(H,19,20)
InChIKeyLQNIIRVDIMPPHE-UHFFFAOYSA-N
XLogP2.88
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', '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-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide?
The IUPAC name of N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide (CID 140638326) is N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide.
What is the SMILES notation for N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide?
The canonical SMILES for N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide is O=C(CC1CCC(OCC2CC(F)C(F)CC2F)CC1)NO.
What is the InChIKey of N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide?
The InChIKey is LQNIIRVDIMPPHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO3/c16-12-7-14(18)13(17)6-10(12)8-22-11-3-1-9(2-4-11)5-15(20)19-21/h9-14,21H,1-8H2,(H,19,20).
What are the key properties of N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide?
N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide has a molecular weight of 323.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-2-[4-[(2,4,5-trifluorocyclohexyl)methoxy]cyclohexyl]acetamide is sourced from PubChem (CID 140638326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).