1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine

C14H16F4N2O — CID 171173290

IUPAC1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F4N2O/c1-2-13(20-7-5-19-6-8-20)11-9-10(3-4-12(11)15)21-14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1
InChIKeySJDLZAPKDGYEFD-CYBMUJFWSA-N
MW304.29 g/mol
LogP2.86
Rot. Bonds4

About 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine

1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine (PubChem CID 171173290) has the molecular formula C14H16F4N2O and a molecular weight of 304.29 g/mol. Its IUPAC name is 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine.

Molecular Properties

Compound Name1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
PubChem CID171173290
Molecular FormulaC14H16F4N2O
Molecular Weight304.29 g/mol
Exact Mass304.12
IUPAC Name1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
SMILESC=C[C@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1
InChIInChI=1S/C14H16F4N2O/c1-2-13(20-7-5-19-6-8-20)11-9-10(3-4-12(11)15)21-14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1
InChIKeySJDLZAPKDGYEFD-CYBMUJFWSA-N
XLogP2.86
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.29
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[(1S)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171167887
1-[(1R)-1-[2-methoxy-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;hydrochloride
CID 171171327
1-[(1R)-1-[2-methoxy-4-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine
CID 171173304
1-[(R)-[2-fluoro-5-(trifluoromethoxy)phenyl]-[4-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171296726
1-[(R)-cyclopropyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296719
1-[(R)-cyclobutyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine
CID 171178149
1-[(1S)-1-(2-fluoro-5-iodophenyl)prop-2-enyl]piperazine;dihydrochloride
CID 171284066
1-[(S)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171284101
1-[(R)-cyclopentyl-[2-fluoro-5-(trifluoromethoxy)phenyl]methyl]piperazine;dihydrochloride
CID 171296721
(3S)-3-[2-fluoro-5-(trifluoromethoxy)phenyl]-3-piperazin-1-ylpropan-1-ol
CID 171174884
1-[(1R)-1-[2-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine;dihydrochloride
CID 171293086
1-[(S)-[2-fluoro-5-(trifluoromethoxy)phenyl]-thiophen-3-ylmethyl]piperazine
CID 171178155

Frequently Asked Questions

What is the IUPAC name of 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The IUPAC name of 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine (CID 171173290) is 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine.
What is the SMILES notation for 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The canonical SMILES for 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine is C=C[C@H](c1cc(OC(F)(F)F)ccc1F)N1CCNCC1.
What is the InChIKey of 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
The InChIKey is SJDLZAPKDGYEFD-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16F4N2O/c1-2-13(20-7-5-19-6-8-20)11-9-10(3-4-12(11)15)21-14(16,17)18/h2-4,9,13,19H,1,5-8H2/t13-/m1/s1.
What are the key properties of 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine?
1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine has a molecular weight of 304.29 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1R)-1-[2-fluoro-5-(trifluoromethoxy)phenyl]prop-2-enyl]piperazine is sourced from PubChem (CID 171173290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).