1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine

C15H16BrF6NO2 — CID 171115652

IUPAC1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)Oc1ccc(OCCN2CCC(C(F)(F)F)CC2)c(Br)c1
InChIInChI=1S/C15H16BrF6NO2/c16-12-9-11(25-15(20,21)22)1-2-13(12)24-8-7-23-5-3-10(4-6-23)14(17,18)19/h1-2,9-10H,3-8H2
InChIKeyQMYHUNUHXIDVBG-UHFFFAOYSA-N
MW436.19 g/mol
LogP5.00
Rot. Bonds5

About 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine

1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine (PubChem CID 171115652) has the molecular formula C15H16BrF6NO2 and a molecular weight of 436.19 g/mol. Its IUPAC name is 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Name1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine
PubChem CID171115652
Molecular FormulaC15H16BrF6NO2
Molecular Weight436.19 g/mol
Exact Mass435.03
IUPAC Name1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine
SMILESFC(F)(F)Oc1ccc(OCCN2CCC(C(F)(F)F)CC2)c(Br)c1
InChIInChI=1S/C15H16BrF6NO2/c16-12-9-11(25-15(20,21)22)1-2-13(12)24-8-7-23-5-3-10(4-6-23)14(17,18)19/h1-2,9-10H,3-8H2
InChIKeyQMYHUNUHXIDVBG-UHFFFAOYSA-N
XLogP5.00
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.19
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine?
The IUPAC name of 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine (CID 171115652) is 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine.
What is the SMILES notation for 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine?
The canonical SMILES for 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine is FC(F)(F)Oc1ccc(OCCN2CCC(C(F)(F)F)CC2)c(Br)c1.
What is the InChIKey of 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine?
The InChIKey is QMYHUNUHXIDVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrF6NO2/c16-12-9-11(25-15(20,21)22)1-2-13(12)24-8-7-23-5-3-10(4-6-23)14(17,18)19/h1-2,9-10H,3-8H2.
What are the key properties of 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine?
1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine has a molecular weight of 436.19 g/mol, XLogP of 5.00, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-bromo-4-(trifluoromethoxy)phenoxy]ethyl]-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 171115652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).