1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride

C12H17Cl2F2IN2 — CID 171284070

IUPAC1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C12H15F2IN2.2ClH/c13-8-12(17-5-3-16-4-6-17)10-7-9(15)1-2-11(10)14;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1
InChIKeyULDKGSQKCWJGPO-LTCKWSDVSA-N
MW425.09 g/mol
LogP3.19
Rot. Bonds3

About 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride

1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride (PubChem CID 171284070) has the molecular formula C12H17Cl2F2IN2 and a molecular weight of 425.09 g/mol. Its IUPAC name is 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
PubChem CID171284070
Molecular FormulaC12H17Cl2F2IN2
Molecular Weight425.09 g/mol
Exact Mass423.98
IUPAC Name1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC[C@@H](c1cc(I)ccc1F)N1CCNCC1
InChIInChI=1S/C12H15F2IN2.2ClH/c13-8-12(17-5-3-16-4-6-17)10-7-9(15)1-2-11(10)14;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1
InChIKeyULDKGSQKCWJGPO-LTCKWSDVSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.09
LogP ≤ 53.19
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-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine;dihydrochloride
CID 171296691
1-[(1S)-4,4,4-trifluoro-1-(2-fluoro-5-iodophenyl)butyl]piperazine;dihydrochloride
CID 171303191
1-[(1S)-3,3,3-trifluoro-1-(2-fluoro-5-iodophenyl)propyl]piperazine;hydrochloride
CID 171167843
1-[(1R)-1-(2-fluoro-5-iodophenyl)but-3-enyl]piperazine
CID 171173178
1-[(1R)-1-(2-fluoro-5-iodophenyl)pentyl]piperazine;dihydrochloride
CID 171308457
1-[(1R)-2-cyclopropyl-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171296703
1-[(1R)-1-(2,5-difluorophenyl)-2-fluoroethyl]piperazine
CID 171182462
1-[(1S)-1-(2-fluoro-5-iodophenyl)-3-methylbutyl]piperazine
CID 171167786
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine;hydrochloride
CID 171182420
1-[(1R)-2-fluoro-1-(2-fluoro-5-methylphenyl)ethyl]piperazine
CID 171182419
1-[(1S)-2-fluoro-1-(2-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285841
1-[(1R)-2-fluoro-1-(2-fluoro-5-methoxyphenyl)ethyl]piperazine
CID 171182642

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride (CID 171284070) is 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride is Cl.Cl.FC[C@@H](c1cc(I)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride?
The InChIKey is ULDKGSQKCWJGPO-LTCKWSDVSA-N. The full InChI is InChI=1S/C12H15F2IN2.2ClH/c13-8-12(17-5-3-16-4-6-17)10-7-9(15)1-2-11(10)14;;/h1-2,7,12,16H,3-6,8H2;2*1H/t12-;;/m0../s1.
What are the key properties of 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride?
1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride has a molecular weight of 425.09 g/mol, XLogP of 3.19, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-2-fluoro-1-(2-fluoro-5-iodophenyl)ethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171284070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).