2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

C11H17ClF3NO2 — CID 43696431

IUPAC2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(Cl)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17ClF3NO2/c1-7(12)10(17)16-8-3-2-4-9(5-8)18-6-11(13,14)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyOWJUUNIOJGOIJX-UHFFFAOYSA-N
MW287.71 g/mol
LogP2.62
Rot. Bonds4

About 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide

2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 43696431) has the molecular formula C11H17ClF3NO2 and a molecular weight of 287.71 g/mol. Its IUPAC name is 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID43696431
Molecular FormulaC11H17ClF3NO2
Molecular Weight287.71 g/mol
Exact Mass287.09
IUPAC Name2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCC(Cl)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C11H17ClF3NO2/c1-7(12)10(17)16-8-3-2-4-9(5-8)18-6-11(13,14)15/h7-9H,2-6H2,1H3,(H,16,17)
InChIKeyOWJUUNIOJGOIJX-UHFFFAOYSA-N
XLogP2.62
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.71
LogP ≤ 52.62
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 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 43696431) is 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is CC(Cl)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is OWJUUNIOJGOIJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClF3NO2/c1-7(12)10(17)16-8-3-2-4-9(5-8)18-6-11(13,14)15/h7-9H,2-6H2,1H3,(H,16,17).
What are the key properties of 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 287.71 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 43696431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).