4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one

C13H20F3NO2 — CID 79059282

IUPAC4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
SMILESO=C(CCC(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h1-10H2
InChIKeyRNHOGOVUZFYAAL-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.54
Rot. Bonds4

About 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one

4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one (PubChem CID 79059282) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
PubChem CID79059282
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one
SMILESO=C(CCC(F)(F)F)C1(N2CCOCC2)CCCC1
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h1-10H2
InChIKeyRNHOGOVUZFYAAL-UHFFFAOYSA-N
XLogP2.54
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one (CID 79059282) is 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one is O=C(CCC(F)(F)F)C1(N2CCOCC2)CCCC1.
What is the InChIKey of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one?
The InChIKey is RNHOGOVUZFYAAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)6-3-11(18)12(4-1-2-5-12)17-7-9-19-10-8-17/h1-10H2.
What are the key properties of 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one?
4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.54, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-(1-morpholin-4-ylcyclopentyl)butan-1-one is sourced from PubChem (CID 79059282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).