4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

C12H20F3NO3 — CID 79203887

IUPAC4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESO=C(CCCO)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-19-10-4-1-3-9(7-10)16-11(18)5-2-6-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeyLIQGADWFNLOMPZ-UHFFFAOYSA-N
MW283.29 g/mol
LogP1.77
Rot. Bonds6

About 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide

4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (PubChem CID 79203887) has the molecular formula C12H20F3NO3 and a molecular weight of 283.29 g/mol. Its IUPAC name is 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.

Molecular Properties

Compound Name4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
PubChem CID79203887
Molecular FormulaC12H20F3NO3
Molecular Weight283.29 g/mol
Exact Mass283.14
IUPAC Name4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide
SMILESO=C(CCCO)NC1CCCC(OCC(F)(F)F)C1
InChIInChI=1S/C12H20F3NO3/c13-12(14,15)8-19-10-4-1-3-9(7-10)16-11(18)5-2-6-17/h9-10,17H,1-8H2,(H,16,18)
InChIKeyLIQGADWFNLOMPZ-UHFFFAOYSA-N
XLogP1.77
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The IUPAC name of 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide (CID 79203887) is 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide.
What is the SMILES notation for 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The canonical SMILES for 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is O=C(CCCO)NC1CCCC(OCC(F)(F)F)C1.
What is the InChIKey of 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
The InChIKey is LIQGADWFNLOMPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20F3NO3/c13-12(14,15)8-19-10-4-1-3-9(7-10)16-11(18)5-2-6-17/h9-10,17H,1-8H2,(H,16,18).
What are the key properties of 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide?
4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide has a molecular weight of 283.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[3-(2,2,2-trifluoroethoxy)cyclohexyl]butanamide is sourced from PubChem (CID 79203887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).