1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane

C14H20ClF3N2O — CID 143061676

IUPAC1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
SMILESCC.FC(F)(F)COc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O.C2H6/c13-10-2-1-9(18-5-3-17-4-6-18)7-11(10)19-8-12(14,15)16;1-2/h1-2,7,17H,3-6,8H2;1-2H3
InChIKeyDTQXPSMYJQIAEE-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.72
Rot. Bonds3

About 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane

1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane (PubChem CID 143061676) has the molecular formula C14H20ClF3N2O and a molecular weight of 324.77 g/mol. Its IUPAC name is 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane.

Molecular Properties

Compound Name1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
PubChem CID143061676
Molecular FormulaC14H20ClF3N2O
Molecular Weight324.77 g/mol
Exact Mass324.12
IUPAC Name1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane
SMILESCC.FC(F)(F)COc1cc(N2CCNCC2)ccc1Cl
InChIInChI=1S/C12H14ClF3N2O.C2H6/c13-10-2-1-9(18-5-3-17-4-6-18)7-11(10)19-8-12(14,15)16;1-2/h1-2,7,17H,3-6,8H2;1-2H3
InChIKeyDTQXPSMYJQIAEE-UHFFFAOYSA-N
XLogP3.72
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-chloro-3-(trifluoromethoxy)phenyl]piperazine;dihydrochloride
CID 86618922
1-(4-chloro-3-methoxyphenyl)piperazine;propane
CID 145414306
ethane;1-(3-methoxy-4-methylphenyl)piperazine
CID 144693036
2-(2-chloro-4-piperazin-1-ylphenoxy)-4-(trifluoromethyl)pyrimidine
CID 141414233
ethane;1-(4-ethyl-3-methoxyphenyl)piperazine
CID 176935078
1-(4-ethoxy-3-methoxyphenyl)piperazine
CID 70276444
1-(3,4-dimethoxyphenyl)piperazine;dihydrochloride
CID 22625407
2-chloro-5-piperazin-1-ylbenzoic acid
CID 83648477
1-[3-(2,2,2-trifluoroethoxymethoxy)phenyl]-1,4-diazepane
CID 106705834
N-(2,2-dimethylpropyl)-4-morpholin-4-yl-2-(2,2,2-trifluoroethoxy)aniline
CID 172536023
1-(3-butoxy-4-tert-butylphenyl)piperazine
CID 89492946
4-bromo-1-chloro-2-methoxybenzene;tert-butyl 4-(4-chloro-3-methoxyphenyl)piperazine-1-carboxylate;tert-butyl piperazine-1-carboxylate;1-(4-chloro-3-methoxyphenyl)piperazine;methane
CID 157064417

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane?
The IUPAC name of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane (CID 143061676) is 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane.
What is the SMILES notation for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane?
The canonical SMILES for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane is CC.FC(F)(F)COc1cc(N2CCNCC2)ccc1Cl.
What is the InChIKey of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane?
The InChIKey is DTQXPSMYJQIAEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClF3N2O.C2H6/c13-10-2-1-9(18-5-3-17-4-6-18)7-11(10)19-8-12(14,15)16;1-2/h1-2,7,17H,3-6,8H2;1-2H3.
What are the key properties of 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane?
1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane has a molecular weight of 324.77 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-3-(2,2,2-trifluoroethoxy)phenyl]piperazine;ethane is sourced from PubChem (CID 143061676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).