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

C12H20F3NO3 — CID 112686174

IUPAC2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCOC(C)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(18-2)11(17)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyQXYADNKFYGTLBF-UHFFFAOYSA-N
MW283.29 g/mol
LogP2.03
Rot. Bonds5

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

2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (PubChem CID 112686174) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.

Molecular Properties

Compound Name2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
PubChem CID112686174
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide
SMILESCOC(C)C(=O)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c1-8(18-2)11(17)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17)
InChIKeyQXYADNKFYGTLBF-UHFFFAOYSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The IUPAC name of 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide (CID 112686174) is 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide.
What is the SMILES notation for 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The canonical SMILES for 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is COC(C)C(=O)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
The InChIKey is QXYADNKFYGTLBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c1-8(18-2)11(17)16-9-4-3-5-10(6-9)19-7-12(13,14)15/h8-10H,3-7H2,1-2H3,(H,16,17).
What are the key properties of 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide?
2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide has a molecular weight of 283.29 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]propanamide is sourced from PubChem (CID 112686174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).