1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine

C11H12F3IN2 — CID 162584678

IUPAC1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(I)cc(N2CCNCC2)c1
InChIInChI=1S/C11H12F3IN2/c12-11(13,14)8-5-9(15)7-10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2
InChIKeyUOXZVGORJQDVTI-UHFFFAOYSA-N
MW356.13 g/mol
LogP2.72
Rot. Bonds1

About 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine

1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine (PubChem CID 162584678) has the molecular formula C11H12F3IN2 and a molecular weight of 356.13 g/mol. Its IUPAC name is 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine.

Molecular Properties

Compound Name1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
PubChem CID162584678
Molecular FormulaC11H12F3IN2
Molecular Weight356.13 g/mol
Exact Mass356.00
IUPAC Name1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine
SMILESFC(F)(F)c1cc(I)cc(N2CCNCC2)c1
InChIInChI=1S/C11H12F3IN2/c12-11(13,14)8-5-9(15)7-10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2
InChIKeyUOXZVGORJQDVTI-UHFFFAOYSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.13
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-[3-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 22345195
1-[5-(trifluoromethyl)-3-pyridinyl]piperazine;dihydrochloride
CID 154825593
formaldehyde;1-[3-(trifluoromethyl)phenyl]piperazine
CID 159253416
1-[3,5-difluoro-4-(trifluoromethyl)phenyl]piperazine
CID 176727239
1-[3-fluoro-5-[3-(trifluoromethyl)phenyl]phenyl]piperazine
CID 11558854
1-[3-(1,1-difluoroethyl)phenyl]piperazine;hydrochloride
CID 131731751
1-[3,5-bis(trifluoromethyl)phenyl]-2-methylpiperazine
CID 72985887
2,2,2-trifluoroacetate;1-[4-(trifluoromethyl)phenyl]piperazine
CID 46779053
1-[2,4-bis(trifluoromethyl)phenyl]piperazine
CID 86600709
1-[4-bromo-3-(trifluoromethyl)phenyl]piperazine
CID 56984078
1-[2-chloro-5-(trifluoromethyl)phenyl]piperazine
CID 3830901
1-[2,5-bis(trifluoromethyl)phenyl]piperazine;hydrochloride
CID 130454922

Frequently Asked Questions

What is the IUPAC name of 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine?
The IUPAC name of 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine (CID 162584678) is 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine.
What is the SMILES notation for 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine?
The canonical SMILES for 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine is FC(F)(F)c1cc(I)cc(N2CCNCC2)c1.
What is the InChIKey of 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine?
The InChIKey is UOXZVGORJQDVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3IN2/c12-11(13,14)8-5-9(15)7-10(6-8)17-3-1-16-2-4-17/h5-7,16H,1-4H2.
What are the key properties of 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine?
1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine has a molecular weight of 356.13 g/mol, XLogP of 2.72, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-iodo-5-(trifluoromethyl)phenyl]piperazine is sourced from PubChem (CID 162584678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).