N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

C11H17ClF3NO2 — CID 106131991

IUPACN-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCC(Cl)C1
InChIInChI=1S/C11H17ClF3NO2/c12-9-3-1-2-8(4-9)5-16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyWPRILEIPSDLBRG-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.48
Rot. Bonds5

About N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide

N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (PubChem CID 106131991) has the molecular formula C11H17ClF3NO2 and a molecular weight of 287.71 g/mol. Its IUPAC name is N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.

Molecular Properties

Compound NameN-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
PubChem CID106131991
Molecular FormulaC11H17ClF3NO2
Molecular Weight287.71 g/mol
Exact Mass287.09
IUPAC NameN-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide
SMILESO=C(COCC(F)(F)F)NCC1CCCC(Cl)C1
InChIInChI=1S/C11H17ClF3NO2/c12-9-3-1-2-8(4-9)5-16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17)
InChIKeyWPRILEIPSDLBRG-UHFFFAOYSA-N
XLogP2.48
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The IUPAC name of N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide (CID 106131991) is N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide.
What is the SMILES notation for N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The canonical SMILES for N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is O=C(COCC(F)(F)F)NCC1CCCC(Cl)C1.
What is the InChIKey of N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
The InChIKey is WPRILEIPSDLBRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO2/c12-9-3-1-2-8(4-9)5-16-10(17)6-18-7-11(13,14)15/h8-9H,1-7H2,(H,16,17).
What are the key properties of N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide?
N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide has a molecular weight of 287.71 g/mol, XLogP of 2.48, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorocyclohexyl)methyl]-2-(2,2,2-trifluoroethoxy)acetamide is sourced from PubChem (CID 106131991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).