4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one

C13H20F3NO2 — CID 79544002

IUPAC4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)7-6-12(19)17-8-2-4-10(17)9-3-1-5-11(9)18/h9-11,18H,1-8H2
InChIKeyGGQZCYUTZOAMGQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.48
Rot. Bonds3

About 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one

4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one (PubChem CID 79544002) has the molecular formula C13H20F3NO2 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one.

Molecular Properties

Compound Name4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one
PubChem CID79544002
Molecular FormulaC13H20F3NO2
Molecular Weight279.30 g/mol
Exact Mass279.14
IUPAC Name4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one
SMILESO=C(CCC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C13H20F3NO2/c14-13(15,16)7-6-12(19)17-8-2-4-10(17)9-3-1-5-11(9)18/h9-11,18H,1-8H2
InChIKeyGGQZCYUTZOAMGQ-UHFFFAOYSA-N
XLogP2.48
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one?
The IUPAC name of 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one (CID 79544002) is 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one.
What is the SMILES notation for 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one?
The canonical SMILES for 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one is O=C(CCC(F)(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one?
The InChIKey is GGQZCYUTZOAMGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20F3NO2/c14-13(15,16)7-6-12(19)17-8-2-4-10(17)9-3-1-5-11(9)18/h9-11,18H,1-8H2.
What are the key properties of 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one?
4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one has a molecular weight of 279.30 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]butan-1-one is sourced from PubChem (CID 79544002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).