2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone

C14H22F4N2O2 — CID 111538741

IUPAC2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone
SMILESO=C(CC1(O)CCCC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H22F4N2O2/c15-12(16)14(17,18)10-19-5-7-20(8-6-19)11(21)9-13(22)3-1-2-4-13/h12,22H,1-10H2
InChIKeyCCHUDUQMMTVMHB-UHFFFAOYSA-N
MW326.33 g/mol
LogP1.73
Rot. Bonds5

About 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone

2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone (PubChem CID 111538741) has the molecular formula C14H22F4N2O2 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone
PubChem CID111538741
Molecular FormulaC14H22F4N2O2
Molecular Weight326.33 g/mol
Exact Mass326.16
IUPAC Name2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone
SMILESO=C(CC1(O)CCCC1)N1CCN(CC(F)(F)C(F)F)CC1
InChIInChI=1S/C14H22F4N2O2/c15-12(16)14(17,18)10-19-5-7-20(8-6-19)11(21)9-13(22)3-1-2-4-13/h12,22H,1-10H2
InChIKeyCCHUDUQMMTVMHB-UHFFFAOYSA-N
XLogP1.73
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone (CID 111538741) is 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone is O=C(CC1(O)CCCC1)N1CCN(CC(F)(F)C(F)F)CC1.
What is the InChIKey of 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone?
The InChIKey is CCHUDUQMMTVMHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F4N2O2/c15-12(16)14(17,18)10-19-5-7-20(8-6-19)11(21)9-13(22)3-1-2-4-13/h12,22H,1-10H2.
What are the key properties of 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone?
2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone has a molecular weight of 326.33 g/mol, XLogP of 1.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-hydroxycyclopentyl)-1-[4-(2,2,3,3-tetrafluoropropyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 111538741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).