3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

C11H20F2N2O3 — CID 103209010

IUPAC3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C11H20F2N2O3/c12-10(13)9-18-8-1-11(17)15-4-2-14(3-5-15)6-7-16/h10,16H,1-9H2
InChIKeyOVEBDTIMJCZPCB-UHFFFAOYSA-N
MW266.29 g/mol
LogP-0.21
Rot. Bonds7

About 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one

3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (PubChem CID 103209010) has the molecular formula C11H20F2N2O3 and a molecular weight of 266.29 g/mol. Its IUPAC name is 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
PubChem CID103209010
Molecular FormulaC11H20F2N2O3
Molecular Weight266.29 g/mol
Exact Mass266.14
IUPAC Name3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCOCC(F)F)N1CCN(CCO)CC1
InChIInChI=1S/C11H20F2N2O3/c12-10(13)9-18-8-1-11(17)15-4-2-14(3-5-15)6-7-16/h10,16H,1-9H2
InChIKeyOVEBDTIMJCZPCB-UHFFFAOYSA-N
XLogP-0.21
TPSA53.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.29
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one (CID 103209010) is 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is O=C(CCOCC(F)F)N1CCN(CCO)CC1.
What is the InChIKey of 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
The InChIKey is OVEBDTIMJCZPCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F2N2O3/c12-10(13)9-18-8-1-11(17)15-4-2-14(3-5-15)6-7-16/h10,16H,1-9H2.
What are the key properties of 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one?
3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one has a molecular weight of 266.29 g/mol, XLogP of -0.21, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-difluoroethoxy)-1-[4-(2-hydroxyethyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 103209010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).