5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine

C15H14F4N4 — CID 118013192

IUPAC5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESFc1ccccc1C1CN(c2cnc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C15H14F4N4/c16-12-4-2-1-3-11(12)13-9-23(6-5-20-13)10-7-21-14(22-8-10)15(17,18)19/h1-4,7-8,13,20H,5-6,9H2
InChIKeyJMCWEDHKEBDGAC-UHFFFAOYSA-N
MW326.30 g/mol
LogP2.79
Rot. Bonds2

About 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine

5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine (PubChem CID 118013192) has the molecular formula C15H14F4N4 and a molecular weight of 326.30 g/mol. Its IUPAC name is 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
PubChem CID118013192
Molecular FormulaC15H14F4N4
Molecular Weight326.30 g/mol
Exact Mass326.12
IUPAC Name5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine
SMILESFc1ccccc1C1CN(c2cnc(C(F)(F)F)nc2)CCN1
InChIInChI=1S/C15H14F4N4/c16-12-4-2-1-3-11(12)13-9-23(6-5-20-13)10-7-21-14(22-8-10)15(17,18)19/h1-4,7-8,13,20H,5-6,9H2
InChIKeyJMCWEDHKEBDGAC-UHFFFAOYSA-N
XLogP2.79
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.30
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The IUPAC name of 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine (CID 118013192) is 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The canonical SMILES for 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine is Fc1ccccc1C1CN(c2cnc(C(F)(F)F)nc2)CCN1.
What is the InChIKey of 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
The InChIKey is JMCWEDHKEBDGAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F4N4/c16-12-4-2-1-3-11(12)13-9-23(6-5-20-13)10-7-21-14(22-8-10)15(17,18)19/h1-4,7-8,13,20H,5-6,9H2.
What are the key properties of 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine?
5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine has a molecular weight of 326.30 g/mol, XLogP of 2.79, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-fluorophenyl)piperazin-1-yl]-2-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 118013192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).