1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine

C14H16F4N2 — CID 171169179

IUPAC1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H16F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-12(15)11(9-10)14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1
InChIKeyRUQZTIXFOXQTCO-CYBMUJFWSA-N
MW288.29 g/mol
LogP2.98
Rot. Bonds3

About 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine

1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine (PubChem CID 171169179) has the molecular formula C14H16F4N2 and a molecular weight of 288.29 g/mol. Its IUPAC name is 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
PubChem CID171169179
Molecular FormulaC14H16F4N2
Molecular Weight288.29 g/mol
Exact Mass288.12
IUPAC Name1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1
InChIInChI=1S/C14H16F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-12(15)11(9-10)14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1
InChIKeyRUQZTIXFOXQTCO-CYBMUJFWSA-N
XLogP2.98
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.29
LogP ≤ 52.98
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-(3-chloro-4-fluorophenyl)prop-2-enyl]piperazine
CID 171163445
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]but-3-enyl]piperazine;hydrochloride
CID 171169186
1-[(1S)-2,2,2-trifluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288462
1-[(1S)-1-(4-chloro-3-fluorophenyl)prop-2-enyl]piperazine
CID 171166426
1-[(1S)-1-(4-bromo-3-fluorophenyl)prop-2-enyl]piperazine
CID 171163518
1-[(1S)-2-fluoro-1-[4-fluoro-3-(trifluoromethyl)phenyl]ethyl]piperazine;dihydrochloride
CID 171288465
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]hept-6-enyl]piperazine
CID 171169252
1-[(1S)-1-[2-fluoro-6-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165437
1-[(1S)-1-[5-fluoro-2-(trifluoromethyl)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171166146
(2S)-2-[4-fluoro-3-(trifluoromethyl)phenyl]-2-piperazin-1-ylethanol;hydrochloride
CID 171173554
1-[(1S)-1-[3-bromo-5-(trifluoromethyl)phenyl]prop-2-enyl]piperazine
CID 171165187
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173290

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine (CID 171169179) is 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine is C=C[C@H](c1ccc(F)c(C(F)(F)F)c1)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
The InChIKey is RUQZTIXFOXQTCO-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F4N2/c1-2-13(20-7-5-19-6-8-20)10-3-4-12(15)11(9-10)14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine?
1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine has a molecular weight of 288.29 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[4-fluoro-3-(trifluoromethyl)phenyl]prop-2-enyl]piperazine is sourced from PubChem (CID 171169179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).