2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride

C14H17Cl2F3N2O — CID 71782670

IUPAC2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16ClF3N2O.ClH/c15-12-4-2-1-3-11(12)9-13(21)20-7-5-19(6-8-20)10-14(16,17)18;/h1-4H,5-10H2;1H
InChIKeyIVNJWXTYYZXBSO-UHFFFAOYSA-N
MW357.20 g/mol
LogP3.01
Rot. Bonds3

About 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride

2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride (PubChem CID 71782670) has the molecular formula C14H17Cl2F3N2O and a molecular weight of 357.20 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride.

Molecular Properties

Compound Name2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
PubChem CID71782670
Molecular FormulaC14H17Cl2F3N2O
Molecular Weight357.20 g/mol
Exact Mass356.07
IUPAC Name2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride
SMILESCl.O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C14H16ClF3N2O.ClH/c15-12-4-2-1-3-11(12)9-13(21)20-7-5-19(6-8-20)10-14(16,17)18;/h1-4H,5-10H2;1H
InChIKeyIVNJWXTYYZXBSO-UHFFFAOYSA-N
XLogP3.01
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.20
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The IUPAC name of 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride (CID 71782670) is 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride.
What is the SMILES notation for 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The canonical SMILES for 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride is Cl.O=C(Cc1ccccc1Cl)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
The InChIKey is IVNJWXTYYZXBSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClF3N2O.ClH/c15-12-4-2-1-3-11(12)9-13(21)20-7-5-19(6-8-20)10-14(16,17)18;/h1-4H,5-10H2;1H.
What are the key properties of 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride?
2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride has a molecular weight of 357.20 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethanone;hydrochloride is sourced from PubChem (CID 71782670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).