1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride

C10H15Cl3F2N2O — CID 171282467

IUPAC1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C10H13ClF2N2O.2ClH/c11-8-2-1-7(16-8)9(10(12)13)15-5-3-14-4-6-15;;/h1-2,9-10,14H,3-6H2;2*1H/t9-;;/m1../s1
InChIKeyUZSXLVKOOQZLSG-KLQYNRQASA-N
MW323.60 g/mol
LogP2.99
Rot. Bonds3

About 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride (PubChem CID 171282467) has the molecular formula C10H15Cl3F2N2O and a molecular weight of 323.60 g/mol. Its IUPAC name is 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
PubChem CID171282467
Molecular FormulaC10H15Cl3F2N2O
Molecular Weight323.60 g/mol
Exact Mass322.02
IUPAC Name1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.FC(F)[C@@H](c1ccc(Cl)o1)N1CCNCC1
InChIInChI=1S/C10H13ClF2N2O.2ClH/c11-8-2-1-7(16-8)9(10(12)13)15-5-3-14-4-6-15;;/h1-2,9-10,14H,3-6H2;2*1H/t9-;;/m1../s1
InChIKeyUZSXLVKOOQZLSG-KLQYNRQASA-N
XLogP2.99
TPSA28.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.60
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(1R)-1-(5-ethylfuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171282505
1-[(1S)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171294601
1-[(1S)-1-(5-chlorofuran-2-yl)-2,2-dimethylpropyl]piperazine
CID 171282491
1-[(S)-(5-chlorofuran-2-yl)-(oxan-4-yl)methyl]piperazine
CID 171282481
(3S)-3-(5-chlorofuran-2-yl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306353
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068
1-[(1R)-1-(3,5-dichloro-4-pyridinyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171277375
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171292460
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171279994
1-[(1R)-2,2-difluoro-1-(4-methylphenyl)ethyl]piperazine;dihydrochloride
CID 171281539
1-[(1R)-2,2-difluoro-1-(4-iodophenyl)ethyl]piperazine;dihydrochloride
CID 171276033

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride (CID 171282467) is 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride is Cl.Cl.FC(F)[C@@H](c1ccc(Cl)o1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The InChIKey is UZSXLVKOOQZLSG-KLQYNRQASA-N. The full InChI is InChI=1S/C10H13ClF2N2O.2ClH/c11-8-2-1-7(16-8)9(10(12)13)15-5-3-14-4-6-15;;/h1-2,9-10,14H,3-6H2;2*1H/t9-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride has a molecular weight of 323.60 g/mol, XLogP of 2.99, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(5-chlorofuran-2-yl)-2,2-difluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171282467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).