1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine

C10H13BrF2N2S — CID 131424917

IUPAC1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
SMILESFC(F)[C@H](c1sccc1Br)N1CCNCC1
InChIInChI=1S/C10H13BrF2N2S/c11-7-1-6-16-9(7)8(10(12)13)15-4-2-14-3-5-15/h1,6,8,10,14H,2-5H2/t8-/m0/s1
InChIKeyXRJKACWMDRRTIJ-QMMMGPOBSA-N
MW311.19 g/mol
LogP2.72
Rot. Bonds3

About 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine

1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine (PubChem CID 131424917) has the molecular formula C10H13BrF2N2S and a molecular weight of 311.19 g/mol. Its IUPAC name is 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
PubChem CID131424917
Molecular FormulaC10H13BrF2N2S
Molecular Weight311.19 g/mol
Exact Mass310.00
IUPAC Name1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
SMILESFC(F)[C@H](c1sccc1Br)N1CCNCC1
InChIInChI=1S/C10H13BrF2N2S/c11-7-1-6-16-9(7)8(10(12)13)15-4-2-14-3-5-15/h1,6,8,10,14H,2-5H2/t8-/m0/s1
InChIKeyXRJKACWMDRRTIJ-QMMMGPOBSA-N
XLogP2.72
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(S)-(3-bromothiophen-2-yl)-thiophen-2-ylmethyl]piperazine;dihydrochloride
CID 171281047
1-[(1S)-1-(4-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131429782
1-[(1S)-1-(5-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine
CID 131553593
1-[(1R)-1-(2,5-dibromophenyl)-2,2-difluoroethyl]piperazine
CID 171283601
1-[(S)-(3-bromothiophen-2-yl)-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171281050
1-[(1S)-1-(3-bromothiophen-2-yl)pent-4-enyl]piperazine;dihydrochloride
CID 171281061
1-[(1S)-1-(3-bromo-2,6-difluorophenyl)-2,2-difluoroethyl]piperazine
CID 171290317
1-[(1S)-1-(4-bromo-3-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171287859
1-[(1S)-1-(2-bromo-5-fluorophenyl)-2,2-difluoroethyl]piperazine
CID 171288489
1-[(1R)-2,2-difluoro-1-thiophen-3-ylethyl]piperazine;dihydrochloride
CID 171280730
1-[(1S)-1-(3,5-dibromophenyl)-2,2-difluoroethyl]piperazine;dihydrochloride
CID 171295338
1-[(1S)-2,2-difluoro-1-(4-fluorophenyl)ethyl]piperazine;dihydrochloride
CID 171285864

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine?
The IUPAC name of 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine (CID 131424917) is 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine is FC(F)[C@H](c1sccc1Br)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine?
The InChIKey is XRJKACWMDRRTIJ-QMMMGPOBSA-N. The full InChI is InChI=1S/C10H13BrF2N2S/c11-7-1-6-16-9(7)8(10(12)13)15-4-2-14-3-5-15/h1,6,8,10,14H,2-5H2/t8-/m0/s1.
What are the key properties of 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine?
1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine has a molecular weight of 311.19 g/mol, XLogP of 2.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(3-bromothiophen-2-yl)-2,2-difluoroethyl]piperazine is sourced from PubChem (CID 131424917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).