(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C18H16F4N2O — CID 1053124

IUPAC(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F4N2O/c19-16-7-2-1-6-15(16)17(25)24-10-8-23(9-11-24)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2
InChIKeyPGTXTGJILOGGJS-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.81
Rot. Bonds2

About (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1053124) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1053124
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F4N2O/c19-16-7-2-1-6-15(16)17(25)24-10-8-23(9-11-24)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2
InChIKeyPGTXTGJILOGGJS-UHFFFAOYSA-N
XLogP3.81
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1053124) is (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1ccccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is PGTXTGJILOGGJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c19-16-7-2-1-6-15(16)17(25)24-10-8-23(9-11-24)14-5-3-4-13(12-14)18(20,21)22/h1-7,12H,8-11H2.
What are the key properties of (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 352.33 g/mol, XLogP of 3.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1053124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).