1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one

C11H18F3NO — CID 116570361

IUPAC1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one
SMILESCCC1(C(=O)CCCC(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3NO/c1-2-10(6-7-15-8-10)9(16)4-3-5-11(12,13)14/h15H,2-8H2,1H3
InChIKeyXTEPKZHCWPUYFF-UHFFFAOYSA-N
MW237.26 g/mol
LogP2.68
Rot. Bonds5

About 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one

1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one (PubChem CID 116570361) has the molecular formula C11H18F3NO and a molecular weight of 237.26 g/mol. Its IUPAC name is 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one.

Molecular Properties

Compound Name1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one
PubChem CID116570361
Molecular FormulaC11H18F3NO
Molecular Weight237.26 g/mol
Exact Mass237.13
IUPAC Name1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one
SMILESCCC1(C(=O)CCCC(F)(F)F)CCNC1
InChIInChI=1S/C11H18F3NO/c1-2-10(6-7-15-8-10)9(16)4-3-5-11(12,13)14/h15H,2-8H2,1H3
InChIKeyXTEPKZHCWPUYFF-UHFFFAOYSA-N
XLogP2.68
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The IUPAC name of 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one (CID 116570361) is 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one.
What is the SMILES notation for 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The canonical SMILES for 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one is CCC1(C(=O)CCCC(F)(F)F)CCNC1.
What is the InChIKey of 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one?
The InChIKey is XTEPKZHCWPUYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18F3NO/c1-2-10(6-7-15-8-10)9(16)4-3-5-11(12,13)14/h15H,2-8H2,1H3.
What are the key properties of 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one?
1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one has a molecular weight of 237.26 g/mol, XLogP of 2.68, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-ethylpyrrolidin-3-yl)-5,5,5-trifluoropentan-1-one is sourced from PubChem (CID 116570361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).