2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone

C15H24F3NO3 — CID 167886114

IUPAC2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CC2(CO)CCCC2)CC(CC(F)(F)F)O1
InChIInChI=1S/C15H24F3NO3/c1-11-8-19(9-12(22-11)6-15(16,17)18)13(21)7-14(10-20)4-2-3-5-14/h11-12,20H,2-10H2,1H3
InChIKeyBGZTUXPAJGMLCV-UHFFFAOYSA-N
MW323.36 g/mol
LogP2.50
Rot. Bonds4

About 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone

2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone (PubChem CID 167886114) has the molecular formula C15H24F3NO3 and a molecular weight of 323.36 g/mol. Its IUPAC name is 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone.

Molecular Properties

Compound Name2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
PubChem CID167886114
Molecular FormulaC15H24F3NO3
Molecular Weight323.36 g/mol
Exact Mass323.17
IUPAC Name2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone
SMILESCC1CN(C(=O)CC2(CO)CCCC2)CC(CC(F)(F)F)O1
InChIInChI=1S/C15H24F3NO3/c1-11-8-19(9-12(22-11)6-15(16,17)18)13(21)7-14(10-20)4-2-3-5-14/h11-12,20H,2-10H2,1H3
InChIKeyBGZTUXPAJGMLCV-UHFFFAOYSA-N
XLogP2.50
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.36
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone?
The IUPAC name of 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone (CID 167886114) is 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone.
What is the SMILES notation for 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone?
The canonical SMILES for 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone is CC1CN(C(=O)CC2(CO)CCCC2)CC(CC(F)(F)F)O1.
What is the InChIKey of 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone?
The InChIKey is BGZTUXPAJGMLCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24F3NO3/c1-11-8-19(9-12(22-11)6-15(16,17)18)13(21)7-14(10-20)4-2-3-5-14/h11-12,20H,2-10H2,1H3.
What are the key properties of 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone?
2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone has a molecular weight of 323.36 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(hydroxymethyl)cyclopentyl]-1-[2-methyl-6-(2,2,2-trifluoroethyl)morpholin-4-yl]ethanone is sourced from PubChem (CID 167886114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).