1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine

C11H12ClF3N2 — CID 3830901

IUPAC1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C11H12ClF3N2/c12-9-2-1-8(11(13,14)15)7-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyYJEUNFQPKZSQEQ-UHFFFAOYSA-N
MW264.68 g/mol
LogP2.77
Rot. Bonds1

About 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine

1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 3830901) has the molecular formula C11H12ClF3N2 and a molecular weight of 264.68 g/mol. Its IUPAC name is 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
PubChem CID3830901
Molecular FormulaC11H12ClF3N2
Molecular Weight264.68 g/mol
Exact Mass264.06
IUPAC Name1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1ccc(Cl)c(N2CCNCC2)c1
InChIInChI=1S/C11H12ClF3N2/c12-9-2-1-8(11(13,14)15)7-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2
InChIKeyYJEUNFQPKZSQEQ-UHFFFAOYSA-N
XLogP2.77
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.68
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-dimethylpiperazine
CID 64926252
1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methyl-1,4-diazepane
CID 64943950
1-(2-chloro-5-methoxyphenyl)piperazine
CID 18663028
S-[[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]thiohydroxylamine
CID 174875356
[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-(4-fluorophenyl)methanone
CID 113078685
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]butan-1-one
CID 113078668
1-[2-methoxy-4-(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 121225637
1-[4-[2-chloro-5-(trifluoromethyl)phenyl]piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 113078675
1-[7-(trifluoromethyl)naphthalen-1-yl]piperazine;dihydrochloride
CID 69163017
1-(2-chlorophenyl)piperazine
CID 162116490

Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine (CID 3830901) is 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1ccc(Cl)c(N2CCNCC2)c1.
What is the InChIKey of 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is YJEUNFQPKZSQEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N2/c12-9-2-1-8(11(13,14)15)7-10(9)17-5-3-16-4-6-17/h1-2,7,16H,3-6H2.
What are the key properties of 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine?
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 264.68 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 3830901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).