1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine

C13H17F2IN2 — CID 171177405

IUPAC1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
SMILESFC(F)C[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C13H17F2IN2/c14-13(15)9-12(18-7-5-17-6-8-18)10-3-1-2-4-11(10)16/h1-4,12-13,17H,5-9H2/t12-/m1/s1
InChIKeyAERYAKHQVHVRFV-GFCCVEGCSA-N
MW366.19 g/mol
LogP2.89
Rot. Bonds4

About 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine

1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine (PubChem CID 171177405) has the molecular formula C13H17F2IN2 and a molecular weight of 366.19 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
PubChem CID171177405
Molecular FormulaC13H17F2IN2
Molecular Weight366.19 g/mol
Exact Mass366.04
IUPAC Name1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine
SMILESFC(F)C[C@H](c1ccccc1I)N1CCNCC1
InChIInChI=1S/C13H17F2IN2/c14-13(15)9-12(18-7-5-17-6-8-18)10-3-1-2-4-11(10)16/h1-4,12-13,17H,5-9H2/t12-/m1/s1
InChIKeyAERYAKHQVHVRFV-GFCCVEGCSA-N
XLogP2.89
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.19
LogP ≤ 52.89
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-[(1S)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine;hydrochloride
CID 171180808
1-[(1R)-2-fluoro-1-(2-iodophenyl)ethyl]piperazine
CID 131345100
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1R)-3-fluoro-1-(2-iodophenyl)propyl]piperazine
CID 171172200
1-[(1R)-1-[2-(difluoromethoxy)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177496
1-[(1S)-1-(2-iodophenyl)butyl]piperazine
CID 171280679
1-[(1R)-1-(3-bromo-2-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175772
1-[(1S)-1-(2-tert-butylsulfanylphenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171181349
1-[(1S)-1-(2-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171280664
1-[(1S)-3,3-difluoro-1-(4-methylnaphthalen-1-yl)propyl]piperazine
CID 171180290
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine
CID 171177675
1-[(1R)-3,3-difluoro-1-phenanthren-9-ylpropyl]piperazine;hydrochloride
CID 171177676

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine (CID 171177405) is 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine is FC(F)C[C@H](c1ccccc1I)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine?
The InChIKey is AERYAKHQVHVRFV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H17F2IN2/c14-13(15)9-12(18-7-5-17-6-8-18)10-3-1-2-4-11(10)16/h1-4,12-13,17H,5-9H2/t12-/m1/s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine?
1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine has a molecular weight of 366.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-(2-iodophenyl)propyl]piperazine is sourced from PubChem (CID 171177405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).