1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

C14H18ClF5N2 — CID 171176427

IUPAC1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H17F5N2.ClH/c15-13(16)9-12(21-6-4-20-5-7-21)10-2-1-3-11(8-10)14(17,18)19;/h1-3,8,12-13,20H,4-7,9H2;1H/t12-;/m1./s1
InChIKeyFGHZJLBWJBIFKO-UTONKHPSSA-N
MW344.76 g/mol
LogP3.73
Rot. Bonds4

About 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride

1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (PubChem CID 171176427) has the molecular formula C14H18ClF5N2 and a molecular weight of 344.76 g/mol. Its IUPAC name is 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
PubChem CID171176427
Molecular FormulaC14H18ClF5N2
Molecular Weight344.76 g/mol
Exact Mass344.11
IUPAC Name1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H17F5N2.ClH/c15-13(16)9-12(21-6-4-20-5-7-21)10-2-1-3-11(8-10)14(17,18)19;/h1-3,8,12-13,20H,4-7,9H2;1H/t12-;/m1./s1
InChIKeyFGHZJLBWJBIFKO-UTONKHPSSA-N
XLogP3.73
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.76
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-3-methyl-1-[3-(trifluoromethyl)phenyl]butyl]piperazine;dihydrochloride
CID 171291312
1-[(1R)-3,3-difluoro-1-[3-fluoro-5-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176567
(3R)-3-piperazin-1-yl-3-[3-(trifluoromethyl)phenyl]propan-1-ol
CID 171173689
1-[(1R)-1-[3-(trifluoromethyl)phenyl]pent-4-enyl]piperazine;dihydrochloride
CID 171291315
1-[(1R)-3,3-difluoro-1-(3-propan-2-ylphenyl)propyl]piperazine
CID 171177597
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
CID 171177157
1-[(4-fluorophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 4646092
1-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]piperazine
CID 92754709
1-[1-[3-(trifluoromethyl)phenyl]pentyl]-1,4-diazepane
CID 4210350
1-[(1R)-3,3-difluoro-1-naphthalen-2-ylpropyl]piperazine;hydrochloride
CID 171175433
1-[(S)-cyclobutyl-[3-(trifluoromethyl)phenyl]methyl]piperazine;hydrochloride
CID 171179871
1-[(3-bromophenyl)-[3-(trifluoromethyl)phenyl]methyl]piperazine
CID 3259924

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride (CID 171176427) is 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is Cl.FC(F)C[C@H](c1cccc(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
The InChIKey is FGHZJLBWJBIFKO-UTONKHPSSA-N. The full InChI is InChI=1S/C14H17F5N2.ClH/c15-13(16)9-12(21-6-4-20-5-7-21)10-2-1-3-11(8-10)14(17,18)19;/h1-3,8,12-13,20H,4-7,9H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride?
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride has a molecular weight of 344.76 g/mol, XLogP of 3.73, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride is sourced from PubChem (CID 171176427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).