1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine

C22H25F5N2O2 — CID 68945958

IUPAC1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFc1ccc(OCCN2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C22H25F5N2O2/c23-18-5-6-21(20(24)16-18)31-14-12-29-10-8-28(9-11-29)7-2-13-30-19-4-1-3-17(15-19)22(25,26)27/h1,3-6,15-16H,2,7-14H2
InChIKeySVDSMOMNHOHUPS-UHFFFAOYSA-N
MW444.44 g/mol
LogP4.45
Rot. Bonds9

About 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine

1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine (PubChem CID 68945958) has the molecular formula C22H25F5N2O2 and a molecular weight of 444.44 g/mol. Its IUPAC name is 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine.

Molecular Properties

Compound Name1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine
PubChem CID68945958
Molecular FormulaC22H25F5N2O2
Molecular Weight444.44 g/mol
Exact Mass444.18
IUPAC Name1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine
SMILESFc1ccc(OCCN2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)c(F)c1
InChIInChI=1S/C22H25F5N2O2/c23-18-5-6-21(20(24)16-18)31-14-12-29-10-8-28(9-11-29)7-2-13-30-19-4-1-3-17(15-19)22(25,26)27/h1,3-6,15-16H,2,7-14H2
InChIKeySVDSMOMNHOHUPS-UHFFFAOYSA-N
XLogP4.45
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.44
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

oxalic acid;1-[2-[3-(trifluoromethyl)phenoxy]ethyl]azepane
CID 2944187
1-(trifluoromethyl)-3-[3-[3-(trifluoromethyl)phenoxy]propoxy]benzene
CID 2766200
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-one
CID 39357245
4-benzyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 23294464
1-[2-(2,4-difluorophenoxy)ethyl]piperidin-4-ol
CID 39358873
1-tert-butyl-4-[3-(3-tert-butylphenoxy)propyl]piperazine
CID 135165094
(3S)-3-methyl-1-[2-[3-(trifluoromethyl)phenoxy]ethyl]piperidine
CID 887526
1-[2-(2,4-difluorophenoxy)ethyl]-1,4-diazepane
CID 82088956
3-[3-(trifluoromethyl)phenoxy]propan-1-ol
CID 67274409
1-(2,4-difluorophenyl)sulfonyl-4-[3-(3-methylphenoxy)propyl]piperazine
CID 8771570
4-[3-[4-[3-(4-cyano-2-fluorophenoxy)propyl]piperazin-1-yl]propoxy]-3-fluorobenzonitrile
CID 67135650
1-(6-naphthalen-1-yloxyhexyl)-4-[3-(trifluoromethyl)phenyl]piperazine
CID 3841599

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine?
The IUPAC name of 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine (CID 68945958) is 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine.
What is the SMILES notation for 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine?
The canonical SMILES for 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine is Fc1ccc(OCCN2CCN(CCCOc3cccc(C(F)(F)F)c3)CC2)c(F)c1.
What is the InChIKey of 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine?
The InChIKey is SVDSMOMNHOHUPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F5N2O2/c23-18-5-6-21(20(24)16-18)31-14-12-29-10-8-28(9-11-29)7-2-13-30-19-4-1-3-17(15-19)22(25,26)27/h1,3-6,15-16H,2,7-14H2.
What are the key properties of 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine?
1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine has a molecular weight of 444.44 g/mol, XLogP of 4.45, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-difluorophenoxy)ethyl]-4-[3-[3-(trifluoromethyl)phenoxy]propyl]piperazine is sourced from PubChem (CID 68945958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).