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

C18H16F4N2O — CID 1320167

IUPAC(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F4N2O/c19-15-5-1-3-13(11-15)17(25)24-9-7-23(8-10-24)16-6-2-4-14(12-16)18(20,21)22/h1-6,11-12H,7-10H2
InChIKeyFBZLYFOKDQKGIQ-UHFFFAOYSA-N
MW352.33 g/mol
LogP3.81
Rot. Bonds2

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

(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1320167) has the molecular formula C18H16F4N2O and a molecular weight of 352.33 g/mol. Its IUPAC name is (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1320167
Molecular FormulaC18H16F4N2O
Molecular Weight352.33 g/mol
Exact Mass352.12
IUPAC Name(3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H16F4N2O/c19-15-5-1-3-13(11-15)17(25)24-9-7-23(8-10-24)16-6-2-4-14(12-16)18(20,21)22/h1-6,11-12H,7-10H2
InChIKeyFBZLYFOKDQKGIQ-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 (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1320167) is (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1cccc(F)c1)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is FBZLYFOKDQKGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F4N2O/c19-15-5-1-3-13(11-15)17(25)24-9-7-23(8-10-24)16-6-2-4-14(12-16)18(20,21)22/h1-6,11-12H,7-10H2.
What are the key properties of (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(3-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 (3-fluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1320167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).