1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine

C13H16BrF3N2 — CID 171175368

IUPAC1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
SMILESFc1ccc([C@@H](CC(F)F)N2CCNCC2)c(Br)c1
InChIInChI=1S/C13H16BrF3N2/c14-11-7-9(15)1-2-10(11)12(8-13(16)17)19-5-3-18-4-6-19/h1-2,7,12-13,18H,3-6,8H2/t12-/m1/s1
InChIKeyDSBWRBNSANPDNH-GFCCVEGCSA-N
MW337.18 g/mol
LogP3.19
Rot. Bonds4

About 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine

1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine (PubChem CID 171175368) has the molecular formula C13H16BrF3N2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
PubChem CID171175368
Molecular FormulaC13H16BrF3N2
Molecular Weight337.18 g/mol
Exact Mass336.04
IUPAC Name1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
SMILESFc1ccc([C@@H](CC(F)F)N2CCNCC2)c(Br)c1
InChIInChI=1S/C13H16BrF3N2/c14-11-7-9(15)1-2-10(11)12(8-13(16)17)19-5-3-18-4-6-19/h1-2,7,12-13,18H,3-6,8H2/t12-/m1/s1
InChIKeyDSBWRBNSANPDNH-GFCCVEGCSA-N
XLogP3.19
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1S)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178788
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171287501
1-[(1S)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171163371
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine
CID 171168887
1-[(1R)-1-(2-bromo-4-fluorophenyl)butyl]piperazine;dihydrochloride
CID 171287499
1-[(1R)-1-(2-bromophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171174919
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
1-[(1S)-1-(2-bromo-4-fluorophenyl)pent-4-enyl]piperazine
CID 171274875
1-[(1R)-1-(3-bromo-2-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175772
4-bromo-3-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol
CID 171179142
1-[(1R)-1-(2-bromo-5-fluorophenyl)-3-methylbutyl]piperazine;dihydrochloride
CID 171288505
5-bromo-2-[(1S)-3,3-difluoro-1-piperazin-1-ylpropyl]phenol;hydrochloride
CID 171179438

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine?
The IUPAC name of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine (CID 171175368) is 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine?
The canonical SMILES for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine is Fc1ccc([C@@H](CC(F)F)N2CCNCC2)c(Br)c1.
What is the InChIKey of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine?
The InChIKey is DSBWRBNSANPDNH-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H16BrF3N2/c14-11-7-9(15)1-2-10(11)12(8-13(16)17)19-5-3-18-4-6-19/h1-2,7,12-13,18H,3-6,8H2/t12-/m1/s1.
What are the key properties of 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine?
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine has a molecular weight of 337.18 g/mol, XLogP of 3.19, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine is sourced from PubChem (CID 171175368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).