3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one

C12H18F3NO2 — CID 79544000

IUPAC3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)7-11(18)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,17H,1-7H2
InChIKeyLGUNHIOURXQESZ-UHFFFAOYSA-N
MW265.27 g/mol
LogP2.09
Rot. Bonds2

About 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one

3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one (PubChem CID 79544000) has the molecular formula C12H18F3NO2 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
PubChem CID79544000
Molecular FormulaC12H18F3NO2
Molecular Weight265.27 g/mol
Exact Mass265.13
IUPAC Name3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one
SMILESO=C(CC(F)(F)F)N1CCCC1C1CCCC1O
InChIInChI=1S/C12H18F3NO2/c13-12(14,15)7-11(18)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,17H,1-7H2
InChIKeyLGUNHIOURXQESZ-UHFFFAOYSA-N
XLogP2.09
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one (CID 79544000) is 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one is O=C(CC(F)(F)F)N1CCCC1C1CCCC1O.
What is the InChIKey of 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
The InChIKey is LGUNHIOURXQESZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3NO2/c13-12(14,15)7-11(18)16-6-2-4-9(16)8-3-1-5-10(8)17/h8-10,17H,1-7H2.
What are the key properties of 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one?
3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one has a molecular weight of 265.27 g/mol, XLogP of 2.09, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-1-[2-(2-hydroxycyclopentyl)pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 79544000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).