cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride

C10H16ClF3N2O — CID 71782703

IUPACcyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O.ClH/c11-10(12,13)7-14-3-5-15(6-4-14)9(16)8-1-2-8;/h8H,1-7H2;1H
InChIKeyDOFRIGYGWLTKKA-UHFFFAOYSA-N
MW272.70 g/mol
LogP1.52
Rot. Bonds2

About cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride

cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride (PubChem CID 71782703) has the molecular formula C10H16ClF3N2O and a molecular weight of 272.70 g/mol. Its IUPAC name is cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride.

Molecular Properties

Compound Namecyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride
PubChem CID71782703
Molecular FormulaC10H16ClF3N2O
Molecular Weight272.70 g/mol
Exact Mass272.09
IUPAC Namecyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride
SMILESCl.O=C(C1CC1)N1CCN(CC(F)(F)F)CC1
InChIInChI=1S/C10H15F3N2O.ClH/c11-10(12,13)7-14-3-5-15(6-4-14)9(16)8-1-2-8;/h8H,1-7H2;1H
InChIKeyDOFRIGYGWLTKKA-UHFFFAOYSA-N
XLogP1.52
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.70
LogP ≤ 51.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride?
The IUPAC name of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride (CID 71782703) is cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride.
What is the SMILES notation for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride?
The canonical SMILES for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride is Cl.O=C(C1CC1)N1CCN(CC(F)(F)F)CC1.
What is the InChIKey of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride?
The InChIKey is DOFRIGYGWLTKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15F3N2O.ClH/c11-10(12,13)7-14-3-5-15(6-4-14)9(16)8-1-2-8;/h8H,1-7H2;1H.
What are the key properties of cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride?
cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride has a molecular weight of 272.70 g/mol, XLogP of 1.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methanone;hydrochloride is sourced from PubChem (CID 71782703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).