(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C18H15F5N2O — CID 1223721

IUPAC(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H15F5N2O/c19-14-5-2-6-15(20)16(14)17(26)25-9-7-24(8-10-25)13-4-1-3-12(11-13)18(21,22)23/h1-6,11H,7-10H2
InChIKeyZVJNRTUQAYBWOS-UHFFFAOYSA-N
MW370.32 g/mol
LogP3.95
Rot. Bonds2

About (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 1223721) has the molecular formula C18H15F5N2O and a molecular weight of 370.32 g/mol. Its IUPAC name is (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID1223721
Molecular FormulaC18H15F5N2O
Molecular Weight370.32 g/mol
Exact Mass370.11
IUPAC Name(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESO=C(c1c(F)cccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1
InChIInChI=1S/C18H15F5N2O/c19-14-5-2-6-15(20)16(14)17(26)25-9-7-24(8-10-25)13-4-1-3-12(11-13)18(21,22)23/h1-6,11H,7-10H2
InChIKeyZVJNRTUQAYBWOS-UHFFFAOYSA-N
XLogP3.95
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.32
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 1223721) is (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is O=C(c1c(F)cccc1F)N1CCN(c2cccc(C(F)(F)F)c2)CC1.
What is the InChIKey of (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is ZVJNRTUQAYBWOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F5N2O/c19-14-5-2-6-15(20)16(14)17(26)25-9-7-24(8-10-25)13-4-1-3-12(11-13)18(21,22)23/h1-6,11H,7-10H2.
What are the key properties of (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
(2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 370.32 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-difluorophenyl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 1223721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).