1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

C13H17Cl2F3N2 — CID 171176451

IUPAC1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Cl)c([C@@H](CC(F)F)N2CCNCC2)c1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-11-2-1-9(15)7-10(11)12(8-13(16)17)19-5-3-18-4-6-19;/h1-2,7,12-13,18H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyQTYMZUZLXHDWSK-UTONKHPSSA-N
MW329.19 g/mol
LogP3.50
Rot. Bonds4

About 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride

1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171176451) has the molecular formula C13H17Cl2F3N2 and a molecular weight of 329.19 g/mol. Its IUPAC name is 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171176451
Molecular FormulaC13H17Cl2F3N2
Molecular Weight329.19 g/mol
Exact Mass328.07
IUPAC Name1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.Fc1ccc(Cl)c([C@@H](CC(F)F)N2CCNCC2)c1
InChIInChI=1S/C13H16ClF3N2.ClH/c14-11-2-1-9(15)7-10(11)12(8-13(16)17)19-5-3-18-4-6-19;/h1-2,7,12-13,18H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyQTYMZUZLXHDWSK-UTONKHPSSA-N
XLogP3.50
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.19
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
1-[(1R)-1-(5-chloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171175594
1-[(1S)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171178788
1-[(1S)-1-(2-chloro-5-fluorophenyl)-3-fluoropropyl]piperazine
CID 171164488
(3R)-3-(2-chloro-5-fluorophenyl)-3-piperazin-1-ylpropanenitrile;dihydrochloride
CID 171306788
1-[(1R)-1-(2-bromo-4-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171175368
1-[(1R)-1-(2-chloro-5-fluorophenyl)-4,4,4-trifluorobutyl]piperazine
CID 171169817
1-[(1S)-1-(2-chloro-5-fluorophenyl)pentyl]piperazine;hydrochloride
CID 171164586
1-[(1S)-1-(3,6-dichloro-2-fluorophenyl)-3,3-difluoropropyl]piperazine
CID 171181398
(4R)-4-(2-chloro-5-fluorophenyl)-4-piperazin-1-ylbutan-1-ol
CID 171173625
1-[(1R)-1-(2-chloro-5-fluorophenyl)ethyl]piperazine;hydrochloride
CID 171169904
1-[(1R)-1-(6-chloro-1,3-benzodioxol-5-yl)-3,3-difluoropropyl]piperazine
CID 171177911

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride (CID 171176451) is 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride is Cl.Fc1ccc(Cl)c([C@@H](CC(F)F)N2CCNCC2)c1.
What is the InChIKey of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is QTYMZUZLXHDWSK-UTONKHPSSA-N. The full InChI is InChI=1S/C13H16ClF3N2.ClH/c14-11-2-1-9(15)7-10(11)12(8-13(16)17)19-5-3-18-4-6-19;/h1-2,7,12-13,18H,3-6,8H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 329.19 g/mol, XLogP of 3.50, 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-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171176451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).