1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride

C14H17ClF4N2 — CID 171166146

IUPAC1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
SMILESC=C[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C14H16F4N2.ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;/h2-4,9,13,19H,1,5-8H2;1H/t13-;/m0./s1
InChIKeyWZPMPNRWFJEVJL-ZOWNYOTGSA-N
MW324.75 g/mol
LogP3.40
Rot. Bonds3

About 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride

1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride (PubChem CID 171166146) has the molecular formula C14H17ClF4N2 and a molecular weight of 324.75 g/mol. Its IUPAC name is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride.

Molecular Properties

Compound Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
PubChem CID171166146
Molecular FormulaC14H17ClF4N2
Molecular Weight324.75 g/mol
Exact Mass324.10
IUPAC Name1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
SMILESC=C[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl
InChIInChI=1S/C14H16F4N2.ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;/h2-4,9,13,19H,1,5-8H2;1H/t13-;/m0./s1
InChIKeyWZPMPNRWFJEVJL-ZOWNYOTGSA-N
XLogP3.40
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.75
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine;hydrochloride
CID 171163000
1-[(1R)-1-(2-chloro-5-fluorophenyl)prop-2-enyl]piperazine
CID 171169915
4-fluoro-2-[(1R)-1-piperazin-1-ylprop-2-enyl]phenol
CID 171168152
1-[(1S)-1-(2,4-difluorophenyl)prop-2-enyl]piperazine
CID 171162999
1-[(1S)-1-[2,4-bis(trifluoromethyl)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171280542
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;dihydrochloride
CID 171279886
1-[(1S)-1-(4-fluoro-2-methylphenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171275255
1-[(1R)-1-(2-bromo-4-fluorophenyl)prop-2-enyl]piperazine
CID 171168872
1-[(1R)-1-[2-fluoro-4-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171170647
1-[(1S)-3-fluoro-1-[5-fluoro-2-(trifluoromethyl)phenyl]propyl]piperazine;hydrochloride
CID 171166070
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171169179
1-[(1S)-1-(5-fluoro-2-nitrophenyl)prop-2-enyl]piperazine
CID 171278137

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride?
The IUPAC name of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride (CID 171166146) is 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride.
What is the SMILES notation for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride?
The canonical SMILES for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride is C=C[C@@H](c1cc(F)ccc1C(F)(F)F)N1CCNCC1.Cl.
What is the InChIKey of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride?
The InChIKey is WZPMPNRWFJEVJL-ZOWNYOTGSA-N. The full InChI is InChI=1S/C14H16F4N2.ClH/c1-2-13(20-7-5-19-6-8-20)11-9-10(15)3-4-12(11)14(16,17)18;/h2-4,9,13,19H,1,5-8H2;1H/t13-;/m0./s1.
What are the key properties of 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride?
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride has a molecular weight of 324.75 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride is sourced from PubChem (CID 171166146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).