ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

C13H21F3N2 — CID 142167043

IUPACethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCC.FC(F)(F)C1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C11H15F3N2.C2H6/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h3,8,15H,1-2,4-7H2;1-2H3
InChIKeyXNOZBJALEKYCBL-UHFFFAOYSA-N
MW262.32 g/mol
LogP3.08
Rot. Bonds1

About ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine

ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (PubChem CID 142167043) has the molecular formula C13H21F3N2 and a molecular weight of 262.32 g/mol. Its IUPAC name is ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.

Molecular Properties

Compound Nameethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
PubChem CID142167043
Molecular FormulaC13H21F3N2
Molecular Weight262.32 g/mol
Exact Mass262.17
IUPAC Nameethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine
SMILESCC.FC(F)(F)C1=CC(N2CCNCC2)=CCC1
InChIInChI=1S/C11H15F3N2.C2H6/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h3,8,15H,1-2,4-7H2;1-2H3
InChIKeyXNOZBJALEKYCBL-UHFFFAOYSA-N
XLogP3.08
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The IUPAC name of ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine (CID 142167043) is ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine.
What is the SMILES notation for ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The canonical SMILES for ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is CC.FC(F)(F)C1=CC(N2CCNCC2)=CCC1.
What is the InChIKey of ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
The InChIKey is XNOZBJALEKYCBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N2.C2H6/c12-11(13,14)9-2-1-3-10(8-9)16-6-4-15-5-7-16;1-2/h3,8,15H,1-2,4-7H2;1-2H3.
What are the key properties of ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine?
ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine has a molecular weight of 262.32 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-[5-(trifluoromethyl)cyclohexa-1,5-dien-1-yl]piperazine is sourced from PubChem (CID 142167043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).