(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol

C10H19FN2O2 — CID 126846684

IUPAC(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c11-1-2-12-3-5-13(6-4-12)9-7-15-8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyVIMFPLGDJFXYNI-NXEZZACHSA-N
MW218.27 g/mol
LogP-0.67
Rot. Bonds3

About (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol

(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol (PubChem CID 126846684) has the molecular formula C10H19FN2O2 and a molecular weight of 218.27 g/mol. Its IUPAC name is (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol.

Molecular Properties

Compound Name(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol
PubChem CID126846684
Molecular FormulaC10H19FN2O2
Molecular Weight218.27 g/mol
Exact Mass218.14
IUPAC Name(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol
SMILESO[C@@H]1COC[C@H]1N1CCN(CCF)CC1
InChIInChI=1S/C10H19FN2O2/c11-1-2-12-3-5-13(6-4-12)9-7-15-8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1
InChIKeyVIMFPLGDJFXYNI-NXEZZACHSA-N
XLogP-0.67
TPSA35.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.27
LogP ≤ 5-0.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol?
The IUPAC name of (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol (CID 126846684) is (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol.
What is the SMILES notation for (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol?
The canonical SMILES for (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol is O[C@@H]1COC[C@H]1N1CCN(CCF)CC1.
What is the InChIKey of (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol?
The InChIKey is VIMFPLGDJFXYNI-NXEZZACHSA-N. The full InChI is InChI=1S/C10H19FN2O2/c11-1-2-12-3-5-13(6-4-12)9-7-15-8-10(9)14/h9-10,14H,1-8H2/t9-,10-/m1/s1.
What are the key properties of (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol?
(3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol has a molecular weight of 218.27 g/mol, XLogP of -0.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-[4-(2-fluoroethyl)piperazin-1-yl]oxolan-3-ol is sourced from PubChem (CID 126846684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).