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

C14H17Cl2F5N2 — CID 171177157

IUPAC1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1
InChIInChI=1S/C14H16ClF5N2.ClH/c15-11-2-1-9(14(18,19)20)7-10(11)12(8-13(16)17)22-5-3-21-4-6-22;/h1-2,7,12-13,21H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyQIBQBDJFHJMDOO-UTONKHPSSA-N
MW379.20 g/mol
LogP4.38
Rot. Bonds4

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

1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride (PubChem CID 171177157) has the molecular formula C14H17Cl2F5N2 and a molecular weight of 379.20 g/mol. Its IUPAC name is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
PubChem CID171177157
Molecular FormulaC14H17Cl2F5N2
Molecular Weight379.20 g/mol
Exact Mass378.07
IUPAC Name1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride
SMILESCl.FC(F)C[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1
InChIInChI=1S/C14H16ClF5N2.ClH/c15-11-2-1-9(14(18,19)20)7-10(11)12(8-13(16)17)22-5-3-21-4-6-22;/h1-2,7,12-13,21H,3-6,8H2;1H/t12-;/m1./s1
InChIKeyQIBQBDJFHJMDOO-UTONKHPSSA-N
XLogP4.38
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.20
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[(1R)-1-(2-chloro-5-fluorophenyl)-3,3-difluoropropyl]piperazine;hydrochloride
CID 171176451
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]butyl]piperazine;hydrochloride
CID 171166433
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]but-3-enyl]piperazine;dihydrochloride
CID 171292774
1-[(1R)-1-[3-chloro-2-fluoro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine
CID 171177046
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]pentyl]piperazine;dihydrochloride
CID 171309341
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3-methylbut-3-enyl]piperazine;dihydrochloride
CID 171292792
(4S)-4-[2-chloro-5-(trifluoromethyl)phenyl]-4-piperazin-1-ylbutan-1-ol
CID 171174645
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171292767
1-[(1S)-3,3-difluoro-1-[2-methoxy-4-(trifluoromethyl)phenyl]propyl]piperazine
CID 171181578
1-[(1R)-3,3-difluoro-1-[3-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171176427
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171292788
1-[(1S)-1-[2-chloro-5-(trifluoromethyl)phenyl]-2,2-dimethylpropyl]piperazine;dihydrochloride
CID 171280166

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride (CID 171177157) is 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride is Cl.FC(F)C[C@H](c1cc(C(F)(F)F)ccc1Cl)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
The InChIKey is QIBQBDJFHJMDOO-UTONKHPSSA-N. The full InChI is InChI=1S/C14H16ClF5N2.ClH/c15-11-2-1-9(14(18,19)20)7-10(11)12(8-13(16)17)22-5-3-21-4-6-22;/h1-2,7,12-13,21H,3-6,8H2;1H/t12-;/m1./s1.
What are the key properties of 1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride?
1-[(1R)-1-[2-chloro-5-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride has a molecular weight of 379.20 g/mol, XLogP of 4.38, 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-(trifluoromethyl)phenyl]-3,3-difluoropropyl]piperazine;hydrochloride is sourced from PubChem (CID 171177157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).