2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

C17H20ClFN2O3 — CID 17148832

IUPAC2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H20ClFN2O3/c18-13-3-1-4-14(19)12(13)11-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1,3-4,15H,2,5-11H2
InChIKeyRKFQNAMPCDHHKF-UHFFFAOYSA-N
MW354.81 g/mol
LogP1.87
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone

2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (PubChem CID 17148832) has the molecular formula C17H20ClFN2O3 and a molecular weight of 354.81 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
PubChem CID17148832
Molecular FormulaC17H20ClFN2O3
Molecular Weight354.81 g/mol
Exact Mass354.11
IUPAC Name2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone
SMILESO=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)C2CCCO2)CC1
InChIInChI=1S/C17H20ClFN2O3/c18-13-3-1-4-14(19)12(13)11-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1,3-4,15H,2,5-11H2
InChIKeyRKFQNAMPCDHHKF-UHFFFAOYSA-N
XLogP1.87
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.81
LogP ≤ 51.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone (CID 17148832) is 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is O=C(Cc1c(F)cccc1Cl)N1CCN(C(=O)C2CCCO2)CC1.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
The InChIKey is RKFQNAMPCDHHKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClFN2O3/c18-13-3-1-4-14(19)12(13)11-16(22)20-6-8-21(9-7-20)17(23)15-5-2-10-24-15/h1,3-4,15H,2,5-11H2.
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone?
2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone has a molecular weight of 354.81 g/mol, XLogP of 1.87, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1-[4-(oxolane-2-carbonyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 17148832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).