1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride

C12H16Cl3F3N2 — CID 171279994

IUPAC1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2.2ClH/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18;;/h1-3,11-12,17H,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyGJFTUPLGXWZXCM-NVJADKKVSA-N
MW351.63 g/mol
LogP3.53
Rot. Bonds3

About 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride

1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride (PubChem CID 171279994) has the molecular formula C12H16Cl3F3N2 and a molecular weight of 351.63 g/mol. Its IUPAC name is 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
PubChem CID171279994
Molecular FormulaC12H16Cl3F3N2
Molecular Weight351.63 g/mol
Exact Mass350.03
IUPAC Name1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
SMILESCl.Cl.Fc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1
InChIInChI=1S/C12H14ClF3N2.2ClH/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18;;/h1-3,11-12,17H,4-7H2;2*1H/t11-;;/m1../s1
InChIKeyGJFTUPLGXWZXCM-NVJADKKVSA-N
XLogP3.53
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.63
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171292615
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171279993
1-[(1S)-1-(3-chloro-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171292460
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-2,2-difluoroethyl]piperazine
CID 171279941
1-[(R)-(3-chloro-2-fluorophenyl)-thiophen-2-ylmethyl]piperazine;hydrochloride
CID 171180423
2-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-6-fluorophenol
CID 171273073
1-[(1R)-1-(4-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171276068
(3S)-3-(3-chloro-2-fluorophenyl)-3-piperazin-1-ylpropanenitrile
CID 171306208
1-[(1S)-1-(3-chloro-2-fluorophenyl)hexyl]piperazine;dihydrochloride
CID 171309330
1-[(1S)-1-[2-(difluoromethoxy)phenyl]-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171293872
2-chloro-6-[(1R)-2,2-difluoro-1-piperazin-1-ylethyl]-4-fluorophenol;dihydrochloride
CID 171299683
1-[(1S)-2,2-difluoro-1-(2,3,6-trichlorophenyl)ethyl]piperazine;dihydrochloride
CID 171294601

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The IUPAC name of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride (CID 171279994) is 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride.
What is the SMILES notation for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The canonical SMILES for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride is Cl.Cl.Fc1c(Cl)cccc1[C@H](C(F)F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
The InChIKey is GJFTUPLGXWZXCM-NVJADKKVSA-N. The full InChI is InChI=1S/C12H14ClF3N2.2ClH/c13-9-3-1-2-8(10(9)14)11(12(15)16)18-6-4-17-5-7-18;;/h1-3,11-12,17H,4-7H2;2*1H/t11-;;/m1../s1.
What are the key properties of 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride?
1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride has a molecular weight of 351.63 g/mol, XLogP of 3.53, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-chloro-2-fluorophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride is sourced from PubChem (CID 171279994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).